SCHEMBL6433274

SCHEMBL6433274

COc1cccc2c1cc(C(=O)NC(c1ccccc1)c1ccncc1)n2Cc1cccc(C#N)c1

nearest known ligand 0.74

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
F10 P00742 9/20 0.74
CCR2 P41597 2/20 0.45
MTNR1A P48039 2/20 0.44
MTNR1B P49286 2/20 0.44
BUB1 O43683 1/20 0.42
GRIN1 Q05586 1/20 0.41
GRIN2B Q13224 1/20 0.41
HPGDS O60760 1/20 0.38
ROCK2 O75116 1/20 0.38
PIK3R1 P27986 1/20 0.38
PIK3CA P42336 1/20 0.38

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
SCHEMBL6433060 0.86 F10 (0.71) F10CCR2HPGDS
SCHEMBL6433340 0.85 F10 (0.85) F10CCR2
SCHEMBL6436677 0.83 F10 (0.59) F10CCR2MTNR1AMTNR1BROCK2
SCHEMBL6433546 0.81 CCR2 (0.67) F10CCR2MTNR1AMTNR1BGRIN1
SCHEMBL6433700 0.80 CCR2 (0.54) F10CCR2MTNR1AMTNR1BGRIN1
SCHEMBL6433022 0.78 F10 (0.65) F10CCR2MTNR1AMTNR1B
SCHEMBL6432886 0.77 F10 (0.56) F10CCR2
SCHEMBL6435685 0.76 F10 (0.71) F10CCR2MTNR1AMTNR1B
SCHEMBL6440151 0.75 F10 (0.72) F10CCR2MTNR1AMTNR1B
SCHEMBL6432347 0.74 F10 (0.61) F10CCR2MTNR1AMTNR1B

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-1042287-B1 INDOLE DERIVATIVES AS INHIBITORS OF FACTOR XA AVENTIS PHARMA GMBH (DE) 2005-04-20 EP disclosed
US-6337344-B1 ANTICOAGULANTS AND ENZYME INHIBITORS FOR CARDIOVASCULAR DISORDERS AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2002-01-08 US disclosed