SCHEMBL7420738

SCHEMBL7420738

N#Cc1cccc(COC(=O)c2cc3cc(OCc4ccccc4)ccc3n2Cc2cccc(C#N)c2)c1

nearest known ligand 0.70

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
F10 P00742 3/20 0.70
CCR2 P41597 1/20 0.57
F2 P00734 1/20 0.50
SRD5A2 P31213 1/20 0.49
FFAR1 O14842 1/20 0.49
FFAR4 Q5NUL3 1/20 0.49
PPARG P37231 1/20 0.49
ALOX5AP P20292 2/20 0.46
CNR1 P21554 1/20 0.46
LTB4R Q15722 1/20 0.45
LTB4R2 Q9NPC1 1/20 0.45

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
SCHEMBL6439399 0.93 F10 (0.60) F10CCR2SRD5A2FFAR1PPARG
SCHEMBL6432803 0.90 CCR2 (0.70) F10CCR2SRD5A2FFAR1FFAR4
SCHEMBL6432567 0.86 F10 (0.66) F10CCR2F2CNR1
SCHEMBL6432419 0.85 F10 (0.71) F10CCR2F2SRD5A2PPARG
SCHEMBL7430298 0.82 F10 (0.83) F10F2SRD5A2PPARG
Acetic Acid SCHEMBL7717345 0.80 F10 (0.95) F10F2
SCHEMBL6433751 0.77 F10 (0.67) F10CCR2F2
SCHEMBL6433289 0.77 NOD2 (0.67) F10CCR2F2
SCHEMBL6433615 0.76 CCR2 (0.58) F10CCR2CNR1
SCHEMBL6432762 0.76 CCR2 (0.58) F10CCR2CNR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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