SCHEMBL8774186

SCHEMBL8774186

N[C@@H]1N=C(c2ccccc2F)c2ccccc2N(CC(=O)N2CC3CCC(CC3)C2)C1=O

nearest known ligand 0.61

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CCKBR P32239 18/20 0.61
CCKAR P32238 5/20 0.47

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
SCHEMBL8774004 1.00 CCKBR (0.61) CCKBRCCKAR
SCHEMBL8775239 1.00 CCKBR (0.61) CCKBRCCKAR
SCHEMBL9573650 0.88 ALDH1A1 (0.52) CCKBRCCKAR
SCHEMBL7544644 0.87 CCKBR (0.67) CCKBRCCKAR
SCHEMBL7544649 0.87 CCKBR (0.67) CCKBRCCKAR
SCHEMBL7546355 0.86 CCKBR (0.58) CCKBRCCKAR
SCHEMBL7546361 0.86 CCKBR (0.58) CCKBRCCKAR
SCHEMBL8536354 0.85 CCKBR (0.48) CCKBRCCKAR
SCHEMBL8536358 0.85 CCKBR (0.48) CCKBRCCKAR
SCHEMBL7544959 0.85 CCKBR (0.58) 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-0804425-A2 BENZODIAZEPINE DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1997-11-05 EP disclosed
WO-1996004254-A2 BENZODIAZEPINE DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-02-15 WO disclosed