SCHEMBL6435781

SCHEMBL6435781

N=C(N)c1cccc(Cn2c(C(=O)O)cc3cc(OCc4ccccc4)ccc32)c1

nearest known ligand 0.82

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
F10 P00742 15/20 0.82
F2 P00734 3/20 0.60
SRD5A2 P31213 1/20 0.57
CCR2 P41597 1/20 0.56
LTB4R Q15722 1/20 0.54
LTB4R2 Q9NPC1 1/20 0.54
PLA2G10 O15496 1/20 0.53

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
SCHEMBL6432795 0.90 F10 (0.68) F10F2SRD5A2CCR2LTB4R
Iodide SCHEMBL6432604 0.88 F10 (0.98) F10F2
Acetic Acid SCHEMBL7717345 0.88 F10 (0.95) F10F2
SCHEMBL7432408 0.87 F10 (0.70) F10F2SRD5A2
SCHEMBL6432819 0.84 F10 (0.84) F10F2CCR2PLA2G10
SCHEMBL3967516 0.82 CCR2 (0.73) F10SRD5A2CCR2LTB4RLTB4R2
SCHEMBL30249718 0.82 F10 (0.89) F10F2
SCHEMBL4316499 0.82 F10 (0.89) F10F2
SCHEMBL6433216 0.82 F10 (0.78) F10F2CCR2PLA2G10
SCHEMBL7429228 0.81 F10 (0.69) F10F2

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