SCHEMBL9526220

SCHEMBL9526220

O=C1Nc2ccc(Cl)cc2C(c2ccccc2)=N[C@H]1Cc1c[nH]c2ccccc12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CCKBR P32239 9/20 1.00
MEN1 O00255 1/20 0.56
LMNA P02545 1/20 0.56
ALB P02768 1/20 0.56
KMT2A Q03164 1/20 0.56

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
SCHEMBL7514683 1.00 CCKBR (1.00) CCKBRMEN1LMNAALBKMT2A
Ether SCHEMBL9529454 0.94 CCKBR (0.88) CCKBR
Ether SCHEMBL9526133 0.94 CCKBR (0.88) CCKBR
SCHEMBL9525114 0.91 CCKBR (0.84) CCKBR
SCHEMBL9526835 0.89 CCKBR (0.81) CCKBRLMNA
SCHEMBL9866963 0.89 CCKBR (1.00) CCKBR
SCHEMBL9526199 0.89 CCKBR (1.00) CCKBR
SCHEMBL9525672 0.84 CCKBR (0.72) CCKBRMEN1LMNAALBKMT2A
SCHEMBL9525678 0.84 CCKBR (0.72) CCKBRMEN1LMNAALBKMT2A
SCHEMBL5491330 0.83 CCKBR (0.73) 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 5 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 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-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