SCHEMBL9058490

SCHEMBL9058490

O=C(NC1CCCCC1)N[C@@H]1N=C(C2CCCCC2)c2ccccc2N(CC(=O)N2CC3CCC(CC3)C2)C1=O

nearest known ligand 0.52

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CCKBR P32239 14/20 0.52
BDKRB1 P46663 6/20 0.49

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
SCHEMBL9058488 1.00 CCKBR (0.52) CCKBRBDKRB1
SCHEMBL7547785 0.86 CCKBR (0.52) CCKBR
SCHEMBL7547795 0.86 CCKBR (0.52) CCKBR
SCHEMBL8608935 0.85 CCKBR (0.74) CCKBR
SCHEMBL9055941 0.85 CCKBR (0.74) CCKBR
SCHEMBL9054445 0.85 CCKBR (0.74) CCKBR
SCHEMBL9054443 0.85 CCKBR (0.74) CCKBR
SCHEMBL9058479 0.84 CCKBR (0.75) CCKBR
SCHEMBL9058478 0.84 CCKBR (0.75) CCKBR
SCHEMBL8774054 0.82 CCKBR (0.44) CCKBRBDKRB1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1996004254-A2 BENZODIAZEPINE DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-02-15 WO disclosed