SCHEMBL9302105

SCHEMBL9302105

CC(C)CN1C(=O)C(NC(=O)OCc2ccccc2)N=C(C2CCCCC2)c2ccccc21

nearest known ligand 0.53

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SENP1 Q9P0U3 2/20 0.53
BDKRB1 P46663 6/20 0.46
CCKBR P32239 7/20 0.46
OXTR P30559 1/20 0.45
SCN9A Q15858 1/20 0.44
BRD4 O60885 2/20 0.43
BRD2 P25440 2/20 0.43
BRD3 Q15059 2/20 0.43

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
SCHEMBL9008788 1.00 SENP1 (0.53) SENP1BDKRB1CCKBROXTRSCN9A
SCHEMBL9302112 1.00 SENP1 (0.53) SENP1BDKRB1CCKBROXTRSCN9A
SCHEMBL9301274 1.00 SENP1 (0.53) SENP1BDKRB1CCKBROXTRSCN9A
SCHEMBL9008787 1.00 SENP1 (0.53) SENP1BDKRB1CCKBROXTRSCN9A
SCHEMBL9008789 1.00 SENP1 (0.53) SENP1BDKRB1CCKBROXTRSCN9A
SCHEMBL9303317 0.89 SENP1 (0.56) SENP1BDKRB1CCKBRSCN9ABRD4
SCHEMBL9701052 0.89 SENP1 (0.56) SENP1BDKRB1CCKBRSCN9ABRD4
SCHEMBL9303321 0.89 SENP1 (0.56) SENP1BDKRB1CCKBRSCN9ABRD4
SCHEMBL8824772 0.89 BDKRB1 (0.58) SENP1BDKRB1CCKBR
SCHEMBL8824775 0.89 BDKRB1 (0.58) SENP1BDKRB1CCKBR

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