SCHEMBL8029677

SCHEMBL8029677

CCOC(=O)CCn1c(Cc2ccc(C#N)cc2)nc2cc(NS(=O)(=O)c3ccccc3CCN(C)C)ccc21

nearest known ligand 0.44

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
F2 P00734 5/20 0.44
CNR2 P34972 11/20 0.42
CNR1 P21554 5/20 0.39
HTR6 P50406 1/20 0.38
BCHE P06276 1/20 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
SCHEMBL8026369 0.96 F2 (0.43) F2CNR2CNR1HTR6
SCHEMBL8030582 0.93 CNR2 (0.43) F2CNR2CNR1HTR6
SCHEMBL8031467 0.93 F2 (0.44) F2CNR2CNR1HTR6
SCHEMBL8016206 0.92 F2 (0.46) F2CNR2CNR1HTR6BCHE
SCHEMBL8026445 0.88 F2 (0.46) F2CNR2CNR1BCHE
SCHEMBL8029954 0.88 F2 (0.45) F2CNR2BCHE
SCHEMBL8028160 0.87 F2 (0.53) F2CNR2CNR1BCHE
SCHEMBL8028279 0.86 F2 (0.59) F2CNR2BCHE
SCHEMBL8033079 0.85 F2 (0.49) F2CNR2HTR6
SCHEMBL8032038 0.85 F2 (0.46) F2CNR2CNR1HTR6

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6114532-A ANTICOAGULANT BOEHRINGER INGELHEIM PHARMA KG (DE) 2000-09-05 US disclosed