SCHEMBL6434096

SCHEMBL6434096

COc1ccc2cc(C(=O)O)n(Cc3cccc(C#N)c3)c2c1

nearest known ligand 0.64

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 8/20 0.64
CCR9 P51686 4/20 0.61
MTNR1A P48039 1/20 0.50
MTNR1B P49286 1/20 0.50
GPR35 Q9HC97 1/20 0.48
PIK3R1 P27986 1/20 0.48
PIK3CA P42336 1/20 0.48
GRIN1 Q05586 1/20 0.48
GRIN2B Q13224 1/20 0.48
KDM2B Q8NHM5 1/20 0.46

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
SCHEMBL6440148 0.91 MAPT (0.53) CCR2CCR9MTNR1AMTNR1BPIK3R1
SCHEMBL3965499 0.88 CCR2 (0.73) CCR2CCR9MTNR1AMTNR1BGPR35
SCHEMBL6433076 0.83 CCR2 (0.77) CCR2CCR9GPR35
SCHEMBL6434144 0.81 F10 (0.52) CCR2CCR9MTNR1AMTNR1B
SCHEMBL31689637 0.80 CCR9 (0.56) CCR2CCR9GPR35GRIN1GRIN2B
SCHEMBL21822295 0.80 CCR9 (0.56) CCR2CCR9GPR35GRIN1GRIN2B
SCHEMBL6433546 0.80 CCR2 (0.67) CCR2CCR9MTNR1AMTNR1BPIK3R1
SCHEMBL6432803 0.79 CCR2 (0.70) CCR2GPR35
SCHEMBL6307840 0.79 CCR2 (0.67) CCR2CCR9GPR35
SCHEMBL21822281 0.79 CCR9 (0.69) CCR2CCR9GPR35

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 4 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
EP-1042287-A1 INDOLE DERIVATIVES AS INHIBITORS OF FACTOR XA Aventis Pharma Deutschland GmbH (DE) 2000-10-11 EP disclosed
WO-1999033800-A1 INDOLE DERIVATIVES AS INHIBITORS OR FACTOR XA AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 1999-07-08 WO disclosed