SCHEMBL8534715

SCHEMBL8534715

Cc1cccc(NC(=O)NC2N=C(C3CCCC3)c3ccccc3NC2=O)c1

nearest known ligand 0.69

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CCKBR P32239 18/20 0.69
NPC1 O15118 1/20 0.50
RAB9A P51151 1/20 0.50
CCKAR P32238 1/20 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
SCHEMBL9054699 1.00 CCKBR (0.69) CCKBRNPC1RAB9ACCKAR
SCHEMBL8773984 0.99 CCKBR (0.68) CCKBRNPC1RAB9A
SCHEMBL8534537 0.99 CCKBR (0.68) CCKBRNPC1RAB9A
SCHEMBL9109762 0.89 CCKBR (0.64) CCKBRNPC1RAB9ACCKAR
SCHEMBL7550799 0.85 CCKBR (0.78) CCKBR
SCHEMBL7550802 0.85 CCKBR (0.78) CCKBR
SCHEMBL7552157 0.82 CCKBR (0.75) CCKBR
SCHEMBL7547182 0.82 CCKBR (0.72) CCKBRCCKAR
SCHEMBL641958 0.82 CCKBR (1.00) CCKBRCCKAR
SCHEMBL7547190 0.82 CCKBR (0.72) 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
US-5763437-A Benzodiazepine derivatives FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1998-06-09 US disclosed
WO-1996004254-A2 BENZODIAZEPINE DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-02-15 WO disclosed