SCHEMBL3695429

SCHEMBL3695429

C(CCNC1CCCC1)CNCCCCNC1CCCC1

nearest known ligand 0.57

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CXCR4 P61073 13/20 0.57
CXCL12 P48061 1/20 0.57
ALDH1A1 P00352 1/20 0.47
HRH4 Q9H3N8 5/20 0.44
HRH3 Q9Y5N1 5/20 0.44
KDM4E B2RXH2 1/20 0.43

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
SCHEMBL5932743 0.97 CXCR4 (0.60) CXCR4CXCL12ALDH1A1HRH4HRH3
SCHEMBL4745523 0.95 CXCR4 (0.62) CXCR4CXCL12ALDH1A1HRH4HRH3
SCHEMBL10939737 0.92 CXCR4 (0.66) CXCR4CXCL12HRH4HRH3KDM4E
SCHEMBL11520861 0.92 CXCR4 (0.52) CXCR4CXCL12ALDH1A1HRH4HRH3
SCHEMBL4743282 0.89 CXCR4 (0.50) CXCR4CXCL12ALDH1A1HRH4HRH3
SCHEMBL4786543 0.89 CXCR4 (0.50) CXCR4CXCL12ALDH1A1HRH4HRH3
SCHEMBL15557616 0.87 CA12 (0.52) CXCR4CXCL12
SCHEMBL10604006 0.86 CXCR4 (0.53) CXCR4CXCL12ALDH1A1HRH4HRH3
SCHEMBL4739261 0.86 CXCR4 (0.53) CXCR4CXCL12ALDH1A1HRH4HRH3
SCHEMBL4786588 0.86 CXCR4 (0.53) CXCR4CXCL12ALDH1A1HRH4HRH3

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2760952-B1 FLEXIBLE PAVEMENT MARKINGS 3M INNOVATIVE PROPERTIES CO (US) 2018-03-21 EP disclosed
EP-2760952-A1 FLEXIBLE PAVEMENT MARKINGS 3M Innovative Properties Company (US) 2014-08-06 EP disclosed
US-20140213694-A1 Flexible Pavement Markings 3M IINOVATIVE PROPERTIES COMPANY (US) 2014-07-31 US disclosed
WO-2013049488-A1 FLEXIBLE PAVEMENT MARKINGS 3M INNOVATIVE PROPERTIES COMPANY (US) 2013-04-04 WO disclosed
WO-2010101560-A1 BIS[(ALKYLAMINO)ALKYL]AMINES ALBEMARLE CORPORATION (US) 2010-09-10 WO disclosed