SCHEMBL6555922

SCHEMBL6555922

Cc1c(C2CCCC2)ccc(C(=O)NCc2cc(C#N)ccc2OCc2ccccc2)c1N

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 1/20 0.44
PTGDR2 Q9Y5Y4 1/20 0.43
MRGPRX4 Q96LA9 1/20 0.42
NPC1 O15118 1/20 0.41
PKM P14618 1/20 0.41
RAB9A P51151 1/20 0.41
PDCD1 Q15116 13/20 0.40
CD274 Q9NZQ7 13/20 0.40
PTGER1 P34995 1/20 0.40
MET P08581 1/20 0.40
AXL P30530 1/20 0.39
MERTK Q12866 1/20 0.39

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
SCHEMBL6554509 0.75 EPHX2 (0.46) MRGPRX4
SCHEMBL6554549 0.74 SLC6A9 (0.46) MRGPRX4NPC1RAB9APTGER1MET
Hydrochloric Acid SCHEMBL6554810 0.74 SLC6A9 (0.45) MRGPRX4NPC1RAB9APTGER1MET
SCHEMBL6330920 0.71 MRGPRX4 (0.47) MRGPRX4PDCD1CD274PTGER1
SCHEMBL6554651 0.70 HPGD (0.45) MRGPRX4NPC1RAB9APTGER1MET
SCHEMBL6554696 0.69 PPARG (0.41) MRGPRX4
SCHEMBL6555857 0.68 SLC6A9 (0.43) MRGPRX4NPC1RAB9APDCD1CD274
SCHEMBL1978691 0.68 MAOB (0.55) PTGDR2MRGPRX4NPC1RAB9APDCD1
SCHEMBL6554874 0.68 MAOB (0.55) PTGDR2MRGPRX4PTGER1
SCHEMBL6332053 0.68 MRGPRX4 (0.52) PTGDR2MRGPRX4PTGER1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1390357-A2 ANTI-THROMBOTIC COMPOUNDS, PRODUCTION AND USE THEREOF AS MEDICAMENTS Boehringer Ingelheim Pharma GmbH & Co. KG (DE) 2004-02-25 EP disclosed
WO-2002062778-A2 ANTI-THROMBOTIC COMPOUNDS, PRODUCTION AND USE THEREOF AS MEDICAMENTS BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2002-08-15 WO disclosed