SCHEMBL7354492

SCHEMBL7354492

CC(C)=CCN(c1ccc(CCc2ccc(Cl)cc2)cc1)C1CCCN(CC(C)CC(N)C=O)C1

nearest known ligand 0.42

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CACNA1B Q00975 9/20 0.42
HSD17B10 Q99714 1/20 0.34
GAA P10253 1/20 0.34
DPP7 Q9UHL4 3/20 0.33
CHRM1 P11229 1/20 0.32
HTR2A P28223 1/20 0.32
MCHR1 Q99705 1/20 0.32

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
SCHEMBL7353835 0.96 CACNA1B (0.42) CACNA1BMCHR1
SCHEMBL7350736 0.92 CACNA1B (0.42) CACNA1BCHRM1HTR2A
SCHEMBL7356277 0.91 CACNA1B (0.51) CACNA1BHSD17B10
SCHEMBL7351806 0.91 CACNA1B (0.45) CACNA1B
SCHEMBL7359802 0.89 CACNA1B (0.42) CACNA1B
SCHEMBL7349827 0.89 CACNA1B (0.42) CACNA1B
SCHEMBL7353830 0.88 CACNA1B (0.50) CACNA1BCHRM1
SCHEMBL7360274 0.87 CACNA1B (0.42) CACNA1BHTR2A
SCHEMBL7042887 0.87 CACNA1B (0.45) CACNA1BHSD17B10GAACHRM1HTR2A
SCHEMBL7359757 0.87 MCHR1 (0.35) CACNA1BHSD17B10GAADPP7CHRM1

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-1999007689-A1 ANILINE DERIVATIVES AS CALCIUM CHANNEL BLOCKERS WARNER-LAMBERT COMPANY (US) 1999-02-18 WO disclosed