SCHEMBL7350815

SCHEMBL7350815

CC(C)CCN(c1ccc(OCc2ccccc2)cc1)C1CCN(C(=O)CCC(C)C(N)=O)CC1

nearest known ligand 0.62

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CACNA1B Q00975 14/20 0.62
LMNA P02545 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
HTR2A P28223 1/20 0.43
ALOX5 P09917 1/20 0.42
YAP1 P46937 2/20 0.42
CCR5 P51681 1/20 0.42

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
SCHEMBL7424711 0.93 CACNA1B (0.62) CACNA1BLMNASMN1; SMN2ALOX5CCR5
SCHEMBL7036883 0.87 CACNA1B (0.60) CACNA1BALOX5CCR5
SCHEMBL7354272 0.87 CACNA1B (0.61) CACNA1BLMNASMN1; SMN2ALOX5CCR5
SCHEMBL7043414 0.85 CACNA1B (0.61) CACNA1BALOX5CCR5
SCHEMBL7041055 0.85 CACNA1B (0.57) CACNA1BLMNASMN1; SMN2ALOX5CCR5
SCHEMBL7043419 0.84 CACNA1B (0.69) CACNA1B
SCHEMBL7043714 0.84 CACNA1B (0.56) CACNA1BLMNASMN1; SMN2ALOX5CCR5
SCHEMBL7036885 0.83 CACNA1B (0.77) CACNA1B
SCHEMBL7043688 0.83 CACNA1B (0.77) CACNA1B
SCHEMBL7045394 0.83 CACNA1B (0.77) CACNA1B

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