SCHEMBL9218964

SCHEMBL9218964

CCCN1C(=O)[C@@H](NC(=O)OCc2ccccc2)N=C(C2CCC2)c2ccccc21

nearest known ligand 0.55

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
BDKRB1 P46663 10/20 0.55
SENP1 Q9P0U3 1/20 0.54
CCKBR P32239 8/20 0.49
SCN9A Q15858 1/20 0.45

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
SCHEMBL9218953 1.00 BDKRB1 (0.55) BDKRB1SENP1CCKBRSCN9A
SCHEMBL9218957 1.00 BDKRB1 (0.55) BDKRB1SENP1CCKBRSCN9A
SCHEMBL9302010 0.98 BDKRB1 (0.57) BDKRB1SENP1CCKBR
SCHEMBL9302006 0.98 BDKRB1 (0.57) BDKRB1SENP1CCKBR
SCHEMBL9302001 0.98 BDKRB1 (0.57) BDKRB1SENP1CCKBR
SCHEMBL8824769 0.97 BDKRB1 (0.58) BDKRB1SENP1CCKBR
SCHEMBL8824772 0.97 BDKRB1 (0.58) BDKRB1SENP1CCKBR
SCHEMBL8824775 0.97 BDKRB1 (0.58) BDKRB1SENP1CCKBR
SCHEMBL9303317 0.91 SENP1 (0.56) BDKRB1SENP1CCKBRSCN9A
SCHEMBL9701052 0.91 SENP1 (0.56) BDKRB1SENP1CCKBRSCN9A

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-0549039-B1 3-Phenylureido-1,4-Benzodiazepinones and their use as cholecystokinin or gastrin antagonists MERCK SHARP & DOHME (GB) 1995-08-09 EP disclosed
US-5410049-A Gastrin and cholecystokinin inhibitor MERCK SHARPE & DOHME LTD. (GB) 1995-04-25 US disclosed
EP-0549039-A1 3-Phenylureido-1,4-Benzodiazepinones and their use as cholecystokinin or gastrin antagonists MERCK SHARP & DOHME LTD. (GB) 1993-06-30 EP disclosed