SCHEMBL6436829

SCHEMBL6436829

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

nearest known ligand 0.55

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 2/20 0.55
CNR1 P21554 9/20 0.48
F10 P00742 6/20 0.47
F2 P00734 3/20 0.44
NTRK1 P04629 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
POLB P06746 1/20 0.39

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
Trifluoroacetic Acid SCHEMBL6433147 0.85 CCR2 (0.54) CCR2CNR1F10F2POLB
Trifluoroacetic Acid SCHEMBL6436827 0.85 CCR2 (0.69) CCR2CNR1F10F2NTRK1
SCHEMBL6433082 0.83 CCR2 (0.78) CCR2F10F2
Trifluoroacetic Acid SCHEMBL6433228 0.81 F10 (0.72) CCR2CNR1F10F2
Trifluoroacetic Acid SCHEMBL6436624 0.79 F10 (0.67) CCR2CNR1F10F2
SCHEMBL6433653 0.75 F10 (0.67) CCR2CNR1F10L3MBTL1
SCHEMBL6433615 0.74 CCR2 (0.58) CCR2CNR1F10POLB
SCHEMBL6433153 0.73 POLB (0.44) CCR2CNR1F10L3MBTL1POLB
SCHEMBL6432426 0.72 CCR2 (0.78) CCR2CNR1F10NTRK1
SCHEMBL27718927 0.72 CCR2 (0.58) CCR2CNR1F10F2

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