SCHEMBL7350644

SCHEMBL7350644

CC(C)CCN(c1ccc(CCC2CCCCC2)cc1)C1CCN(CC(C)CC(N)C=O)CC1

nearest known ligand 0.40

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CACNA1B Q00975 14/20 0.40
MAOB P27338 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
SCHEMBL7354629 0.93 CACNA1B (0.37) CACNA1BMAOB
SCHEMBL7349884 0.90 CACNA1B (0.42) CACNA1B
SCHEMBL7354253 0.88 CACNA1B (0.43) CACNA1BMAOB
SCHEMBL7349945 0.87 CACNA1B (0.40) CACNA1B
SCHEMBL7349808 0.87 CACNA1B (0.38) CACNA1B
SCHEMBL7357693 0.87 CHIT1 (0.38) CACNA1B
SCHEMBL7354570 0.86 CACNA1B (0.45) CACNA1BMAOB
SCHEMBL7350917 0.86 CACNA1B (0.42) CACNA1B
SCHEMBL7041953 0.86 CACNA1B (0.43) CACNA1BMAOB
SCHEMBL7041957 0.86 CACNA1B (0.43) CACNA1BMAOB

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