SCHEMBL9303173

SCHEMBL9303173

CN1C(=O)[C@H](NC(=O)Nc2cccc(-c3nnn[nH]3)c2)N=C(C2CCCCC2)c2ccccc21

nearest known ligand 0.71

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
CCKBR P32239 19/20 0.71

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
SCHEMBL9699970 0.99 CCKBR (0.71) CCKBR
SCHEMBL9301863 0.90 CCKBR (0.62) CCKBR
SCHEMBL9701137 0.89 CCKBR (0.57) CCKBR
SCHEMBL7553620 0.89 CCKBR (0.58) CCKBR
SCHEMBL7553612 0.89 CCKBR (0.58) CCKBR
SCHEMBL9301212 0.88 CCKBR (0.56) CCKBR
SCHEMBL9278492 0.88 CCKBR (0.76) CCKBR
SCHEMBL9302443 0.88 CCKBR (0.55) CCKBR
SCHEMBL9251487 0.86 CCKBR (0.62) CCKBR
SCHEMBL9271462 0.86 CCKBR (0.71) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0514133-A1 Benzodiazepine derivatives, compositions containing them and their use in therapy MERCK SHARP & DOHME LTD. (GB) 1992-11-19 EP claimed
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