SCHEMBL6433546

SCHEMBL6433546

COc1cccc2c1cc(C(=O)O)n2Cc1cccc(C#N)c1

nearest known ligand 0.67

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 8/20 0.67
MTNR1A P48039 3/20 0.51
MTNR1B P49286 3/20 0.51
F10 P00742 4/20 0.48
GRIN1 Q05586 1/20 0.46
GRIN2B Q13224 1/20 0.46
CCR9 P51686 1/20 0.45
FEN1 P39748 1/20 0.45
PIK3R1 P27986 1/20 0.44
PIK3CA P42336 1/20 0.44

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
SCHEMBL6433700 0.90 CCR2 (0.54) CCR2MTNR1AMTNR1BF10GRIN1
SCHEMBL6432404 0.87 CCR2 (0.57) CCR2F10FEN1
SCHEMBL6432960 0.85 CCR2 (0.65) CCR2F10CCR9FEN1
SCHEMBL6433022 0.84 F10 (0.65) CCR2MTNR1AMTNR1BF10
SCHEMBL6432935 0.84 CCR2 (0.64) CCR2F10CCR9FEN1
SCHEMBL3963296 0.84 CCR2 (0.72) CCR2MTNR1AMTNR1BF10
SCHEMBL6432749 0.83 CCR2 (0.62) CCR2CCR9FEN1PIK3R1PIK3CA
SCHEMBL6435685 0.83 F10 (0.71) CCR2MTNR1AMTNR1BF10
SCHEMBL6440151 0.81 F10 (0.72) CCR2MTNR1AMTNR1BF10
SCHEMBL6432347 0.81 F10 (0.61) CCR2MTNR1AMTNR1BF10

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