SCHEMBL7425299

SCHEMBL7425299

COC(=O)CN(Cc1ccncc1)C(=O)c1cc2ccccc2n1Cc1cccc(C#N)c1

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
F10 P00742 6/20 0.53
CCR2 P41597 3/20 0.45
CNR1 P21554 4/20 0.39
KMT2A Q03164 1/20 0.39
BUB1 O43683 1/20 0.38
PLA2G10 O15496 1/20 0.38
POLB P06746 1/20 0.37
PPARG P37231 1/20 0.37
GRIN1 Q05586 1/20 0.37
GRIN2B Q13224 1/20 0.37

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
SCHEMBL7429297 0.89 F10 (0.50) F10CCR2CNR1PLA2G10POLB
SCHEMBL7428962 0.84 F10 (0.62) F10KMT2APLA2G10
SCHEMBL6432441 0.78 F10 (0.58) F10CCR2CNR1
SCHEMBL6432403 0.76 CCR2 (0.50) F10CCR2CNR1
SCHEMBL6432886 0.75 F10 (0.56) F10CCR2CNR1POLBPPARG
SCHEMBL6433076 0.73 CCR2 (0.77) F10CCR2PLA2G10
SCHEMBL6433060 0.73 F10 (0.71) F10CCR2CNR1PLA2G10PPARG
SCHEMBL7429684 0.72 F10 (0.59) F10CCR2PLA2G10
SCHEMBL6433289 0.72 NOD2 (0.67) F10CCR2KMT2APLA2G10POLB
SCHEMBL6432780 0.72 F10 (0.56) 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