SCHEMBL9526313

SCHEMBL9526313

O=C(NC[C@@H]1CNc2ccccc2C(c2ccccc2F)=N1)c1cc2ccccc2[nH]1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CCKBR P32239 19/20 1.00
CCKAR P32238 10/20 0.61

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
SCHEMBL9526301 1.00 CCKBR (1.00) CCKBRCCKAR
SCHEMBL9526754 0.82 CCKBR (1.00) CCKBRCCKAR
SCHEMBL9524932 0.77 CCKBR (1.00) CCKBRCCKAR
SCHEMBL9524799 0.76 CCKBR (1.00) CCKBRCCKAR
SCHEMBL9524795 0.76 CCKBR (1.00) CCKBRCCKAR
SCHEMBL9470128 0.76 CCKBR (0.61) CCKBRCCKAR
SCHEMBL9469478 0.75 CCKBR (0.81) CCKBRCCKAR
SCHEMBL9470125 0.74 CCKBR (0.65) CCKBRCCKAR
SCHEMBL9500427 0.73 CCKBR (1.00) CCKBRCCKAR
SCHEMBL9525572 0.73 CCKBR (1.00) CCKBRCCKAR

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 2 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