SCHEMBL8026447

SCHEMBL8026447

CCOC(=O)CCCn1c(Cc2ccc(C#N)cc2)nc2cc(N(CC(=O)OCC)S(=O)(=O)c3ccccc3)ccc21

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
F2 P00734 3/20 0.41
HCRTR2 O43614 1/20 0.41
CNR2 P34972 13/20 0.40
CNR1 P21554 6/20 0.40
POLB P06746 1/20 0.39
USP2 O75604 1/20 0.38
MAPK1 P28482 1/20 0.38
BCHE P06276 1/20 0.38

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
SCHEMBL8028164 0.93 F2 (0.45) F2HCRTR2CNR2CNR1POLB
SCHEMBL8026373 0.92 CNR2 (0.46) F2HCRTR2CNR2CNR1BCHE
SCHEMBL8016208 0.92 CNR2 (0.47) F2HCRTR2CNR2CNR1POLB
SCHEMBL8030583 0.92 CNR2 (0.45) F2CNR2CNR1BCHE
SCHEMBL8030064 0.91 HCRTR2 (0.43) F2HCRTR2CNR2CNR1POLB
SCHEMBL8028097 0.90 CNR2 (0.48) F2HCRTR2CNR2CNR1POLB
SCHEMBL8032466 0.90 F2 (0.52) F2HCRTR2POLBUSP2MAPK1
SCHEMBL8031603 0.89 CNR2 (0.47) F2CNR2CNR1BCHE
SCHEMBL8029957 0.88 F2 (0.40) F2HCRTR2CNR2CNR1POLB
SCHEMBL8127249 0.88 CNR2 (0.44) F2CNR2CNR1BCHE

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