SCHEMBL6440148

SCHEMBL6440148

COC(=O)c1cc2ccc(OC)cc2n1Cc1cccc(C#N)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.53
THRB P10828 2/20 0.53
TP53 P04637 1/20 0.53
CCR2 P41597 4/20 0.52
MTNR1A P48039 3/20 0.52
MTNR1B P49286 3/20 0.52
GRIN1 Q05586 1/20 0.49
GRIN2B Q13224 1/20 0.49
CCR9 P51686 2/20 0.49
KDM4E B2RXH2 1/20 0.48
ALDH1A1 P00352 1/20 0.48
LMNA P02545 1/20 0.48
HPGD P15428 1/20 0.48
PTGS2 P35354 1/20 0.48
KDM2B Q8NHM5 1/20 0.47
PIK3R1 P27986 1/20 0.47
PIK3CA P42336 1/20 0.47
CNR1 P21554 3/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
F10 P00742 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
SCHEMBL6434096 0.91 CCR2 (0.64) CCR2MTNR1AMTNR1BGRIN1GRIN2B
SCHEMBL3659423 0.84 CCR2 (0.63) MAPTTHRBTP53CCR2MTNR1A
SCHEMBL6434144 0.82 F10 (0.52) MAPTCCR2MTNR1AMTNR1BCCR9
SCHEMBL6433653 0.81 F10 (0.67) MAPTTP53CCR2GRIN1GRIN2B
SCHEMBL6433700 0.80 CCR2 (0.54) MAPTTHRBTP53CCR2MTNR1A
SCHEMBL5622754 0.79 MTNR1A (0.61) MAPTCCR2MTNR1AMTNR1BCCR9
SCHEMBL3965499 0.78 CCR2 (0.73) MAPTTHRBTP53CCR2MTNR1A
SCHEMBL6433289 0.77 NOD2 (0.67) MAPTCCR2KDM4EALDH1A1LMNA
SCHEMBL6432567 0.75 F10 (0.66) CCR2CNR1F10
SCHEMBL6439399 0.74 F10 (0.60) MAPTCCR2LMNACNR1SMN1; SMN2

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