SCHEMBL6432803

SCHEMBL6432803

N#Cc1cccc(Cn2c(C(=O)O)cc3cc(OCc4ccccc4)ccc32)c1

nearest known ligand 0.70

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 7/20 0.70
SRD5A2 P31213 1/20 0.58
F10 P00742 3/20 0.56
LTB4R Q15722 1/20 0.55
LTB4R2 Q9NPC1 1/20 0.55
PLA2G4A P47712 1/20 0.52
PPARG P37231 1/20 0.51
FFAR1 O14842 1/20 0.50
FFAR4 Q5NUL3 1/20 0.50
NTRK1 P04629 1/20 0.49
GPR35 Q9HC97 1/20 0.49
ALOX5AP P20292 2/20 0.48
CNR1 P21554 1/20 0.48

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
SCHEMBL7420738 0.90 F10 (0.70) CCR2SRD5A2F10LTB4RLTB4R2
SCHEMBL6432419 0.89 F10 (0.71) CCR2SRD5A2F10PPARGCNR1
SCHEMBL6439399 0.89 F10 (0.60) CCR2SRD5A2F10LTB4RLTB4R2
SCHEMBL6433076 0.84 CCR2 (0.77) CCR2F10GPR35
SCHEMBL3967516 0.83 CCR2 (0.73) CCR2SRD5A2F10LTB4RLTB4R2
SCHEMBL6436016 0.83 CCR2 (1.00) CCR2GPR35
SCHEMBL6436704 0.82 CCR2 (0.78) CCR2F10GPR35
SCHEMBL6433082 0.82 CCR2 (0.78) CCR2F10GPR35
SCHEMBL6432426 0.82 CCR2 (0.78) CCR2F10NTRK1GPR35CNR1
SCHEMBL6432795 0.81 F10 (0.68) CCR2SRD5A2F10LTB4RLTB4R2

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