SCHEMBL6433700

SCHEMBL6433700

COC(=O)c1cc2c(OC)cccc2n1Cc1cccc(C#N)c1

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 2/20 0.54
F10 P00742 4/20 0.50
MTNR1A P48039 3/20 0.50
MTNR1B P49286 3/20 0.50
GRIN1 Q05586 2/20 0.47
GRIN2B Q13224 2/20 0.47
KDM4E B2RXH2 2/20 0.47
LMNA P02545 2/20 0.47
HTT P42858 1/20 0.47
MAPT P10636 4/20 0.46
THRB P10828 3/20 0.46
TP53 P04637 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
ALDH1A1 P00352 1/20 0.45
HPGD P15428 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
SCHEMBL6433546 0.90 CCR2 (0.67) CCR2F10MTNR1AMTNR1BGRIN1
SCHEMBL6433022 0.85 F10 (0.65) CCR2F10MTNR1AMTNR1B
SCHEMBL6775247 0.85 CCR2 (0.65) CCR2F10MTNR1AMTNR1BMAPT
SCHEMBL6435685 0.84 F10 (0.71) CCR2F10MTNR1AMTNR1B
SCHEMBL6440151 0.82 F10 (0.72) CCR2F10MTNR1AMTNR1BTP53
SCHEMBL6432347 0.82 F10 (0.61) CCR2F10MTNR1AMTNR1BTP53
SCHEMBL6436677 0.82 F10 (0.59) CCR2F10MTNR1AMTNR1B
SCHEMBL5622779 0.81 CCR2 (0.47) CCR2F10MTNR1AMTNR1BKDM4E
SCHEMBL6433653 0.80 F10 (0.67) CCR2F10GRIN1GRIN2BKDM4E
SCHEMBL6440148 0.80 MAPT (0.53) CCR2F10MTNR1AMTNR1BGRIN1

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