SCHEMBL9125285

SCHEMBL9125285

O=C(O)CN1C(=O)[C@@H](NC(=O)c2cc3ccccc3[nH]2)N=C(c2ccccc2)c2ccccc21

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CCKBR P32239 16/20 1.00
CCKAR P32238 12/20 1.00
ADRB2 P07550 1/20 0.75
TSPO P30536 1/20 0.75
GLP1R P43220 1/20 0.75
FFAR4 Q5NUL3 1/20 0.75
PDE4A P27815 3/20 0.61
PDE4B Q07343 3/20 0.61
PDE4C Q08493 3/20 0.61
PDE4D Q08499 3/20 0.61
PDE5A O76074 2/20 0.61
PDE1A P54750 2/20 0.61
PDE1B Q01064 2/20 0.61
PDE1C Q14123 2/20 0.61
SENP1 Q9P0U3 1/20 0.51

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
SCHEMBL9125278 1.00 CCKBR (1.00) CCKBRCCKARADRB2TSPOGLP1R
SCHEMBL9124147 0.93 CCKBR (0.87) CCKBRCCKARADRB2TSPOGLP1R
SCHEMBL9125884 0.92 CCKBR (0.84) CCKBRCCKARADRB2TSPOGLP1R
SCHEMBL9125877 0.92 CCKBR (0.84) CCKBRCCKARADRB2TSPOGLP1R
SCHEMBL9525022 0.90 CCKBR (1.00) CCKBRCCKARADRB2TSPOGLP1R
SCHEMBL9525011 0.90 CCKBR (1.00) CCKBRCCKARADRB2TSPOGLP1R
SCHEMBL9459250 0.90 CCKBR (0.82) CCKBRCCKARADRB2TSPOGLP1R
SCHEMBL9124649 0.90 CCKBR (0.82) CCKBRCCKARADRB2TSPOGLP1R
SCHEMBL9124657 0.90 CCKBR (0.82) CCKBRCCKARADRB2TSPOGLP1R
SCHEMBL9126939 0.90 CCKBR (0.82) CCKBRCCKARADRB2TSPOGLP1R

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0167919-B1 BENZODIAZEPINE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM MERCK & CO. INC. (US) 1993-05-05 EP claimed
EP-0284256-A1 Benzodiazepine analogs MERCK & CO. INC. (US) 1988-09-28 EP claimed
EP-0167919-A2 Benzodiazepine derivatives and pharmaceutical compositions containing them MERCK & CO. INC. (US) 1986-01-15 EP claimed
US-5382664-A Benzodiazepine derivatives FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1995-01-17 US disclosed
US-5264433-A Benzodiazepine derivatives FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1993-11-23 US disclosed
EP-0167919-B1 BENZODIAZEPINE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM MERCK & CO. INC. (US) 1993-05-05 EP disclosed
US-5004741-A Cholecystokinin(CCK); Treating Disorders Of The Gastrointestinal Tract, Central Nervous System And Of The Appetite Of Animals MERCK & CO., INC. (US) 1991-04-02 US disclosed
US-4970207-A Benzodiazepine derivatives FUJISAWA PHARMACEUTICAL COMPANY, LTD. (JP) 1990-11-13 US disclosed
EP-0349949-A2 Benzodiazepine derivatives FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1990-01-10 EP disclosed
US-4820834-A Benzodiazepine analogs MERCK & CO., INC. (US) 1989-04-11 US disclosed
EP-0284256-A1 Benzodiazepine analogs MERCK & CO. INC. (US) 1988-09-28 EP disclosed
EP-0167919-A2 Benzodiazepine derivatives and pharmaceutical compositions containing them MERCK & CO. INC. (US) 1986-01-15 EP disclosed