SCHEMBL7296483

SCHEMBL7296483

N#Cc1ccc(OCCCn2ccnc2)cc1

nearest known ligand 0.86

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 3/20 0.86
CACNA1B Q00975 2/20 0.72
QPCT Q16769 1/20 0.69
MEN1 O00255 2/20 0.68
KMT2A Q03164 2/20 0.68
ATM Q13315 1/20 0.68
L3MBTL1 Q9Y468 1/20 0.65
NOS1 P29475 2/20 0.64
POLB P06746 1/20 0.64
KDM4E B2RXH2 1/20 0.63
LMNA P02545 1/20 0.63

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
SCHEMBL7303484 0.93 TBXAS1 (1.00) TBXAS1CACNA1BMEN1KMT2AL3MBTL1
SCHEMBL7873899 0.88 TBXAS1 (0.72) TBXAS1CACNA1BQPCTMEN1KMT2A
Hydrochloric Acid SCHEMBL2529362 0.88 MEN1 (0.85) TBXAS1QPCTMEN1KMT2AATM
Hydrochloric Acid SCHEMBL7875269 0.87 TBXAS1 (0.70) TBXAS1CACNA1BQPCTMEN1KMT2A
SCHEMBL8995361 0.85 QPCT (0.69) TBXAS1QPCTMEN1KMT2AATM
SCHEMBL688957 0.85 TBXAS1 (0.88) TBXAS1QPCTKMT2ANOS1
SCHEMBL6302835 0.82 QPCT (0.73) TBXAS1QPCTMEN1KMT2AATM
SCHEMBL10457427 0.82 QPCT (0.73) TBXAS1QPCTMEN1KMT2AATM
SCHEMBL8684902 0.82 QPCT (0.73) TBXAS1CACNA1BQPCTMEN1KMT2A
SCHEMBL12834989 0.82 QPCT (1.00) TBXAS1QPCTMEN1KMT2AATM

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
US-5708171-A HISTAMINE H3-RECEPTOR ANTAGONIST INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (FR) 1998-01-13 US claimed
US-5708171-A HISTAMINE H3-RECEPTOR ANTAGONIST INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (FR) 1998-01-13 US disclosed
EP-0504574-B1 1,2,4-Oxadiazole derivatives having monoamine oxidase B enzyme-inhibitory activity and method for preparing same WAKAMOTO PHARMA CO LTD (JP) 1996-02-28 EP disclosed
US-5356916-A Treating Parkinson*s disease WAKAMOTO PHARMACEUTICAL CO., LTD. (JP) 1994-10-18 US disclosed
EP-0504574-A1 1,2,4-Oxadiazole derivatives having monoamine oxidase B enzyme-inhibitory activity and method for preparing same Wakamoto Pharmaceutical Co., Ltd. (JP) 1992-09-23 EP disclosed