SCHEMBL8027009

SCHEMBL8027009

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

nearest known ligand 0.46

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 12/20 0.46
CNR1 P21554 7/20 0.45
GNRHR P30968 1/20 0.39
EGLN2 Q96KS0 1/20 0.38
ITK Q08881 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
Hydrochloric Acid SCHEMBL8033026 0.87 F2 (0.49) CNR2CNR1
SCHEMBL8026456 0.87 CNR2 (0.49) CNR2CNR1
SCHEMBL8026373 0.81 CNR2 (0.46) CNR2CNR1
SCHEMBL8030583 0.81 CNR2 (0.45) CNR2CNR1
SCHEMBL8030582 0.81 CNR2 (0.43) CNR2CNR1
SCHEMBL8026369 0.81 F2 (0.43) CNR2CNR1
SCHEMBL8143300 0.81 F2 (0.58) CNR2ITK
SCHEMBL8026905 0.81 GNRHR (0.48) GNRHR
SCHEMBL8028358 0.79 CNR2 (0.46) CNR2CNR1ITK
SCHEMBL8130510 0.79 CNR2 (0.46) CNR2CNR1ITK

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