SCHEMBL9842497

SCHEMBL9842497

CC(C)CN1C(=O)C(NC(=O)OCc2ccccc2)N=C(c2ccccn2)c2ccccc21

nearest known ligand 0.60

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SENP1 Q9P0U3 3/20 0.60
SCN9A Q15858 1/20 0.50
BRD4 O60885 4/20 0.49
BRD2 P25440 4/20 0.49
BRD3 Q15059 4/20 0.49
CCKBR P32239 5/20 0.48
CCKAR P32238 1/20 0.48

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
SCHEMBL9842511 1.00 SENP1 (0.60) SENP1SCN9ABRD4BRD2BRD3
SCHEMBL9842505 1.00 SENP1 (0.60) SENP1SCN9ABRD4BRD2BRD3
SCHEMBL5657926 0.89 SENP1 (0.75) SENP1SCN9ABRD4BRD2BRD3
SCHEMBL9432536 0.87 SCN9A (0.62) SENP1SCN9ABRD4BRD2BRD3
SCHEMBL9368773 0.86 SENP1 (0.57) SENP1SCN9ABRD4BRD2BRD3
SCHEMBL9368786 0.86 SENP1 (0.57) SENP1SCN9ABRD4BRD2BRD3
SCHEMBL9368798 0.86 SENP1 (0.57) SENP1SCN9ABRD4BRD2BRD3
SCHEMBL9226184 0.86 SENP1 (0.56) SENP1BRD4BRD2BRD3CCKBR
SCHEMBL9229763 0.85 SENP1 (0.55) SENP1BRD4BRD2BRD3CCKBR
SCHEMBL20438218 0.84 SENP1 (0.53) SENP1SCN9ABRD4BRD2BRD3

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
EP-0434364-A2 Benzodiazepine analogs for treating panic syndrome and for directly inducing analgesia MERCK & CO. INC. (US) 1991-06-26 EP disclosed