SCHEMBL9301987

SCHEMBL9301987

CCCN1C(=O)C(NC(=O)Oc2ccc([N+](=O)[O-])cc2)N=C(C2CCCC2)c2ccccc21

nearest known ligand 0.53

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
BDKRB1 P46663 6/20 0.53
CCKBR P32239 13/20 0.47

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
SCHEMBL9301995 1.00 BDKRB1 (0.53) BDKRB1CCKBR
SCHEMBL9301992 1.00 BDKRB1 (0.53) BDKRB1CCKBR
SCHEMBL8824649 0.99 BDKRB1 (0.54) BDKRB1CCKBR
SCHEMBL8824648 0.99 BDKRB1 (0.54) BDKRB1CCKBR
SCHEMBL8824652 0.99 BDKRB1 (0.54) BDKRB1CCKBR
SCHEMBL9302412 0.94 BDKRB1 (0.45) BDKRB1CCKBR
SCHEMBL9302403 0.94 BDKRB1 (0.45) BDKRB1CCKBR
SCHEMBL9302408 0.94 BDKRB1 (0.45) BDKRB1CCKBR
SCHEMBL9302341 0.89 CCKBR (0.54) CCKBR
SCHEMBL9302348 0.89 CCKBR (0.54) CCKBR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5360802-A Antagonists of cholecystokinin and gastrin MERCK SHARPE & DOHME LTD. 1994-11-01 US disclosed
EP-0514133-A1 Benzodiazepine derivatives, compositions containing them and their use in therapy MERCK SHARP & DOHME LTD. (GB) 1992-11-19 EP disclosed