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SCHEMBL8030583

SCHEMBL8030583

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

nearest known ligand 0.45

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ CNR2 P34972 14/20 0.45
▸ CNR1 P21554 6/20 0.44
▸ F2 P00734 3/20 0.41
▸ BCHE P06276 1/20 0.38
▸ HDAC1 Q13547 2/20 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
SCHEMBL8026373 0.97 CNR2 (0.46) CNR2CNR1F2BCHE
SCHEMBL8127249 0.97 CNR2 (0.44) CNR2CNR1F2BCHE
SCHEMBL8029680 0.92 CNR2 (0.44) CNR2CNR1F2BCHE
SCHEMBL8026447 0.92 F2 (0.41) CNR2CNR1F2BCHE
SCHEMBL8029957 0.90 F2 (0.40) CNR2CNR1F2BCHE
SCHEMBL8031603 0.90 CNR2 (0.47) CNR2CNR1F2BCHE
SCHEMBL8016208 0.89 CNR2 (0.47) CNR2CNR1F2
SCHEMBL8031469 0.88 CNR2 (0.42) CNR2CNR1F2
Hydrochloric Acid SCHEMBL8029960 0.88 F2 (0.55) CNR2CNR1F2
SCHEMBL8130510 0.87 CNR2 (0.46) CNR2CNR1BCHE

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