SCHEMBL8032253

SCHEMBL8032253

CCOC(=O)Cn1c(Cc2ccc(C#N)cc2)nc2cc(N(CCN(C)C)S(=O)(=O)c3cccc4cccnc34)ccc21

nearest known ligand 0.50

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
F2 P00734 6/20 0.50
CNR2 P34972 10/20 0.40
FNTA P49354 1/20 0.38
FNTB P49356 1/20 0.38
PGGT1B P53609 1/20 0.38
CNR1 P21554 3/20 0.38
GAA P10253 1/20 0.36
TSHR P16473 1/20 0.36
ALDH1A1 P00352 1/20 0.36

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
Hydrochloric Acid SCHEMBL8139279 0.88 F2 (0.64) F2CNR2CNR1
Hydrochloric Acid SCHEMBL8139426 0.88 F2 (0.64) F2CNR2CNR1
SCHEMBL8031469 0.86 CNR2 (0.42) F2CNR2CNR1
SCHEMBL8026767 0.86 F2 (0.62) F2FNTAFNTBPGGT1BGAA
SCHEMBL8026560 0.85 F2 (0.62) F2FNTAFNTBPGGT1BTSHR
SCHEMBL8138889 0.84 F2 (0.64) F2FNTAFNTBPGGT1BGAA
SCHEMBL6639498 0.82 F2 (0.56) F2FNTAFNTBPGGT1BGAA
SCHEMBL8032598 0.82 CNR2 (0.42) CNR2CNR1
SCHEMBL8016063 0.81 F2 (0.64) F2FNTAFNTBPGGT1BTSHR
SCHEMBL6636057 0.80 F2 (0.57) F2FNTAFNTBPGGT1BGAA

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
EP-1060166-A1 FIVE-MEMBERED, BENZO-CONDENSED HETEROCYCLES USED AS ANTITHROMBOTIC AGENTS Boehringer Ingelheim Pharma KG (DE) 2000-12-20 EP disclosed
US-6114532-A ANTICOAGULANT BOEHRINGER INGELHEIM PHARMA KG (DE) 2000-09-05 US disclosed
WO-1999040072-A1 FIVE-MEMBERED, BENZO-CONDENSED HETEROCYCLES USED AS ANTITHROMBOTIC AGENTS BOEHRINGER INGELHEIM PHARMA KG (DE) 1999-08-12 WO disclosed