SCHEMBL9525672

SCHEMBL9525672

O=C1Nc2ccc(Cl)cc2C(c2ccccc2)=NC1Cc1cccc2ccccc12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CCKBR P32239 5/20 0.72
MEN1 O00255 1/20 0.58
LMNA P02545 1/20 0.58
ALB P02768 1/20 0.58
KMT2A Q03164 1/20 0.58
CHRM1 P11229 5/20 0.55

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
SCHEMBL9525678 1.00 CCKBR (0.72) CCKBRMEN1LMNAALBKMT2A
SCHEMBL5424930 0.85 CCKBR (0.69) CCKBRMEN1LMNAALBKMT2A
SCHEMBL9526220 0.84 CCKBR (1.00) CCKBRMEN1LMNAALBKMT2A
SCHEMBL7514683 0.84 CCKBR (1.00) CCKBRMEN1LMNAALBKMT2A
SCHEMBL9527025 0.84 CCKBR (0.74) CCKBRMEN1LMNAALBKMT2A
SCHEMBL9527020 0.84 CCKBR (0.74) CCKBRMEN1LMNAALBKMT2A
SCHEMBL9526188 0.82 CCKBR (0.64) CCKBRMEN1LMNAALBKMT2A
SCHEMBL9526175 0.82 CCKBR (0.64) CCKBRMEN1LMNAALBKMT2A
SCHEMBL11996361 0.82 CCKBR (0.65) CCKBRMEN1LMNAALBKMT2A
SCHEMBL10164842 0.82 CCKBR (0.65) CCKBRMEN1LMNAALBKMT2A

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 6 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-0167919-A2 Benzodiazepine derivatives and pharmaceutical compositions containing them MERCK & CO. INC. (US) 1986-01-15 EP claimed
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-4820834-A Benzodiazepine analogs MERCK & CO., INC. (US) 1989-04-11 US disclosed
EP-0167919-A2 Benzodiazepine derivatives and pharmaceutical compositions containing them MERCK & CO. INC. (US) 1986-01-15 EP disclosed