SCHEMBL329323

SCHEMBL329323

Cc1ccc(CN2CCCCCC2)cc1

nearest known ligand 0.78

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 5/20 0.78
HRH4 Q9H3N8 1/20 0.69
ALDH1A1 P00352 4/20 0.68
LMNA P02545 1/20 0.68
POLB P06746 1/20 0.68
KDM4E B2RXH2 1/20 0.67
CXCR4 P61073 1/20 0.64
CYP2D6 P10635 1/20 0.62
CYP2C19 P33261 1/20 0.62
MEN1 O00255 1/20 0.61
KMT2A Q03164 1/20 0.61
NCF1 P14598 1/20 0.60
HRH1 P35367 1/20 0.59

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL12687 1.00 HRH3 (0.78) HRH3HRH4ALDH1A1LMNAPOLB
Hydrochloric Acid SCHEMBL6968666 0.98 HRH3 (0.75) HRH3HRH4ALDH1A1LMNAPOLB
SCHEMBL11852 0.98 HRH3 (0.74) HRH3HRH4ALDH1A1LMNAPOLB
SCHEMBL1046331 0.93 ALDH1A1 (0.70) HRH3HRH4ALDH1A1LMNAPOLB
SCHEMBL13215736 0.93 ALDH1A1 (0.70) HRH3HRH4ALDH1A1LMNAPOLB
SCHEMBL1045595 0.91 ALDH1A1 (0.74) HRH3HRH4ALDH1A1LMNAPOLB
SCHEMBL1045984 0.91 ALDH1A1 (0.74) HRH3HRH4ALDH1A1LMNAPOLB
SCHEMBL7989530 0.89 LMNA (0.83) HRH3ALDH1A1LMNAPOLBCXCR4
SCHEMBL11356824 0.89 LMNA (0.83) HRH3ALDH1A1LMNAPOLBCXCR4
SCHEMBL1045922 0.89 LMNA (0.83) HRH3ALDH1A1LMNAPOLBCXCR4

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 31 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2407507-B1 RUBBER COMPOSITION AND PNEUMATIC TIRE JSR CORP (JP) 2016-09-28 EP disclosed
US-9206264-B2 Method for producing modified conjugated diene based (co)polymer, modified conjugated diene based (co)polymer, and rubber composition JSR CORPORATION (JP) 2015-12-08 US disclosed
EP-1783143-B1 PROCESS FOR PRODUCING CONJUGATED DIENE COPOLYMER RUBBER JSR CORP (JP) 2014-10-15 EP disclosed
EP-2123687-B1 CONJUGATED DIOLEFIN COPOLYMER RUBBER, METHOD FOR PRODUCING THE SAME, RUBBER COMPOSITION AND TIRE JSR CORP (JP) 2013-08-21 EP disclosed
EP-2130842-B1 METHOD FOR PRODUCING MODIFIED CONJUGATED DIENE POLYMER, MODIFIED CONJUGATED DIENE POLYMER, AND RUBBER COMPOSITION JSR CORP (JP) 2013-05-15 EP disclosed
US-8178626-B2 Method for producing modified conjugated diene based (co)polymer, modified conjugated diene based (co)polymer, and rubber composition JSR CORPORATION (JP) 2012-05-15 US disclosed
US-20120108737-A1 METHOD FOR PRODUCING MODIFIED CONJUGATED DIENE BASED (CO)POLYMER, MODIFIED CONJUGATED DIENE BASED (CO)POLYMER, AND RUBBER COMPOSITION JSR CORPORATION (JP) 2012-05-03 US disclosed
EP-2407507-A1 RUBBER COMPOSITION AND PNEUMATIC TIRE JSR Corporation (JP) 2012-01-18 EP disclosed
US-20110319519-A1 RUBBER COMPOSITION AND PNEUMATIC TIRE JSR CORPORATION (JP) 2011-12-29 US disclosed
EP-1783165-B1 RUBBER COMPOSITION AND TIRE JSR CORP (JP) 2011-10-19 EP disclosed
US-7342070-B2 Conjugated diolefin (co)polymer rubber, process for producing (co)polymer rubber, rubber composition, composite, and tire JSR CORPORATION (JP) 2008-03-11 US disclosed
US-20080045664-A1 Process for Producing Conjugated Diolefin (Co) Polymer Rubber, Conjugated Diolefin (Co) Polymer Rubber, Rubber Composition, and Tire JSR CORPORATION (JP) 2008-02-21 US disclosed
US-20070265397-A1 Process for Producing Conjugated Diene Copolymer Rubber JSR CORPORATION (JP) 2007-11-15 US disclosed
US-20070185267-A1 Rubber composition JSR CORPORATION (JP) 2007-08-09 US disclosed
EP-1790666-A1 PROCESS FOR PRODUCING CONJUGATED DIOLEFIN (CO)POLYMER RUBBER, CONJUGATED DIOLEFIN (CO)POLYMER RUBBER, RUBBER COMPOSITION, AND TIRE JSR Corporation (JP) 2007-05-30 EP disclosed
EP-1783143-A1 PROCESS FOR PRODUCING CONJUGATED DIENE COPOLYMER RUBBER JSR Corporation (JP) 2007-05-09 EP disclosed
EP-1783165-A1 RUBBER COMPOSITION AND TIRE JSR Corporation (JP) 2007-05-09 EP disclosed
EP-1721930-A1 RUBBER COMPOSITION JSR Corporation (JP) 2006-11-15 EP disclosed
US-20040254301-A1 Conjugated diolefin (co)polymer rubber, process for producing (co)polymer rubber, rubber composition, composite, and tire JSR CORPORATION (JP) 2004-12-16 US disclosed
EP-1457501-A1 CONJUGATED DIOLEFIN POLYMER RUBBER PROCESS FOR PRODUCING POLYMER RUBBER RUBBER COMPOSITION COMPOSITE AND TIRE JSR Corporation (JP) 2004-09-15 EP disclosed