SCHEMBL9057664

SCHEMBL9057664

Nc1cccc(NC(=O)NC2N=C(c3ccccc3F)c3ccccc3N(CC(=O)N3CC4CCC(CC4)C3)C2=O)c1

nearest known ligand 0.84

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
CCKBR P32239 18/20 0.84

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
SCHEMBL8775400 1.00 CCKBR (0.84) CCKBR
SCHEMBL9054891 0.93 CCKBR (0.86) CCKBR
SCHEMBL9054895 0.93 CCKBR (0.86) CCKBR
SCHEMBL9058629 0.92 CCKBR (0.84) CCKBR
SCHEMBL9058628 0.92 CCKBR (0.84) CCKBR
SCHEMBL9054828 0.92 CCKBR (0.84) CCKBR
SCHEMBL9054824 0.92 CCKBR (0.84) CCKBR
SCHEMBL8774156 0.92 CCKBR (0.84) CCKBR
SCHEMBL8774162 0.92 CCKBR (0.84) CCKBR
SCHEMBL8774046 0.92 CCKBR (1.00) 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 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