SCHEMBL7359757

SCHEMBL7359757

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

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 2/20 0.35
CHRM1 P11229 1/20 0.35
HTR2A P28223 1/20 0.35
CHIT1 Q13231 6/20 0.35
CHIA Q9BZP6 6/20 0.35
KCNH2 Q12809 5/20 0.35
CACNA1B Q00975 7/20 0.35
GAA P10253 1/20 0.33
SIGMAR1 Q99720 1/20 0.33
HSD17B10 Q99714 1/20 0.32
DPP7 Q9UHL4 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
SCHEMBL7353642 0.96 CHIT1 (0.37) MCHR1CHIT1CHIAKCNH2CACNA1B
SCHEMBL7357693 0.91 CHIT1 (0.38) CHIT1CHIAKCNH2CACNA1BSIGMAR1
SCHEMBL7354629 0.89 CACNA1B (0.37) CACNA1B
SCHEMBL7349373 0.89 CACNA1B (0.39) CACNA1B
SCHEMBL7354492 0.87 CACNA1B (0.42) MCHR1CHRM1HTR2ACACNA1BGAA
SCHEMBL7045080 0.86 CACNA1B (0.37) MCHR1CHRM1HTR2ACHIT1CHIA
SCHEMBL7045078 0.86 CACNA1B (0.37) MCHR1CHRM1HTR2ACHIT1CHIA
SCHEMBL7349945 0.84 CACNA1B (0.40) CACNA1B
SCHEMBL7354253 0.83 CACNA1B (0.43) CHRM1HTR2AKCNH2CACNA1BSIGMAR1
SCHEMBL7353835 0.83 CACNA1B (0.42) MCHR1CHIT1CHIAKCNH2CACNA1B

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 claimed