SCHEMBL6433653

SCHEMBL6433653

COC(=O)c1cc2cc(F)ccc2n1Cc1cccc(C#N)c1

nearest known ligand 0.67

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
F10 P00742 1/20 0.67
CCR2 P41597 2/20 0.60
MAPT P10636 2/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
KDM4E B2RXH2 2/20 0.53
LMNA P02545 2/20 0.53
HTT P42858 1/20 0.53
CNR1 P21554 8/20 0.51
GRIN1 Q05586 2/20 0.49
GRIN2B Q13224 2/20 0.49
ALDH1A1 P00352 1/20 0.48
HPGD P15428 1/20 0.48
PIK3R1 P27986 1/20 0.46
PIK3CA P42336 1/20 0.46
PTGS2 P35354 1/20 0.46
TP53 P04637 1/20 0.46

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
SCHEMBL6433615 0.90 CCR2 (0.58) F10CCR2MAPTLMNAHTT
SCHEMBL6432426 0.87 CCR2 (0.78) F10CCR2KDM4ECNR1ALDH1A1
SCHEMBL926411 0.86 F10 (0.74) F10CCR2MAPTL3MBTL1KDM4E
SCHEMBL6440148 0.81 MAPT (0.53) F10CCR2MAPTKDM4ELMNA
SCHEMBL6436363 0.80 F10 (0.81) F10CCR2MAPTL3MBTL1KDM4E
SCHEMBL6438615 0.80 F10 (1.00) F10
SCHEMBL6433700 0.80 CCR2 (0.54) F10CCR2MAPTKDM4ELMNA
SCHEMBL6434800 0.80 CCR2 (0.53) F10CCR2CNR1
Hydrochloric Acid SCHEMBL6438611 0.80 F10 (0.98) F10
SCHEMBL6438708 0.80 F10 (0.66) 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 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