SCHEMBL8029680

SCHEMBL8029680

CCOC(=O)CCn1c(Cc2ccc(C#N)cc2)nc2cc(N(CCN(C)C)S(=O)(=O)c3ccccc3)ccc21

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 13/20 0.44
F2 P00734 2/20 0.42
CNR1 P21554 5/20 0.42
ITK Q08881 4/20 0.39
TXK P42681 2/20 0.39
HCRTR2 O43614 1/20 0.38
BCHE P06276 1/20 0.38
ACHE P22303 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
SCHEMBL8127249 0.96 CNR2 (0.44) CNR2F2CNR1ITKTXK
SCHEMBL8026373 0.96 CNR2 (0.46) CNR2F2CNR1HCRTR2BCHE
SCHEMBL8031469 0.93 CNR2 (0.42) CNR2F2CNR1HCRTR2
SCHEMBL8030583 0.92 CNR2 (0.45) CNR2F2CNR1BCHE
SCHEMBL8016208 0.91 CNR2 (0.47) CNR2F2CNR1HCRTR2
SCHEMBL8028360 0.90 CNR2 (0.47) CNR2CNR1ITKBCHE
SCHEMBL8026447 0.88 F2 (0.41) CNR2F2CNR1HCRTR2BCHE
SCHEMBL8029957 0.88 F2 (0.40) CNR2F2CNR1ITKHCRTR2
Hydrochloric Acid SCHEMBL8029923 0.87 F2 (0.57) CNR2F2CNR1BCHEACHE
SCHEMBL8028164 0.87 F2 (0.45) CNR2F2CNR1HCRTR2BCHE

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