SCHEMBL9303321

SCHEMBL9303321

CCN1C(=O)[C@@H](NC(=O)OCc2ccccc2)N=C(C2CCCC2)c2ccccc21

nearest known ligand 0.56

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SENP1 Q9P0U3 3/20 0.56
BDKRB1 P46663 6/20 0.49
CCKBR P32239 7/20 0.46
BRD4 O60885 3/20 0.45
BRD2 P25440 3/20 0.45
BRD3 Q15059 3/20 0.45
SCN9A Q15858 1/20 0.44

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
SCHEMBL9303317 1.00 SENP1 (0.56) SENP1BDKRB1CCKBRBRD4BRD2
SCHEMBL9701052 1.00 SENP1 (0.56) SENP1BDKRB1CCKBRBRD4BRD2
SCHEMBL9302006 0.93 BDKRB1 (0.57) SENP1BDKRB1CCKBR
SCHEMBL9302010 0.93 BDKRB1 (0.57) SENP1BDKRB1CCKBR
SCHEMBL9302001 0.93 BDKRB1 (0.57) SENP1BDKRB1CCKBR
SCHEMBL8824775 0.92 BDKRB1 (0.58) SENP1BDKRB1CCKBR
SCHEMBL8824772 0.92 BDKRB1 (0.58) SENP1BDKRB1CCKBR
SCHEMBL8824769 0.92 BDKRB1 (0.58) SENP1BDKRB1CCKBR
SCHEMBL9218953 0.91 BDKRB1 (0.55) SENP1BDKRB1CCKBRSCN9A
SCHEMBL9218957 0.91 BDKRB1 (0.55) SENP1BDKRB1CCKBRSCN9A

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