SCHEMBL7356203

SCHEMBL7356203

CC(C)CCN(c1ccc(OCc2ccccc2)cc1)C1CCCN(C(=O)CC(C)CC(N)=O)C1

nearest known ligand 0.57

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CACNA1B Q00975 15/20 0.57
LMNA P02545 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
KMT2A Q03164 1/20 0.43
ALOX5 P09917 1/20 0.40
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39

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
SCHEMBL7354077 0.95 CACNA1B (0.58) CACNA1BLMNASMN1; SMN2KMT2AALOX5
SCHEMBL7354272 0.91 CACNA1B (0.61) CACNA1BLMNASMN1; SMN2KMT2AALOX5
SCHEMBL7351921 0.88 CACNA1B (0.65) CACNA1BLMNASMN1; SMN2KMT2AALOX5
SCHEMBL7359677 0.86 CACNA1B (0.62) CACNA1BLMNASMN1; SMN2KMT2AALOX5
SCHEMBL7353923 0.84 CACNA1B (0.55) CACNA1BLMNASMN1; SMN2KMT2AALOX5
SCHEMBL7045335 0.83 CACNA1B (0.65) CACNA1B
SCHEMBL7041905 0.83 CACNA1B (0.65) CACNA1B
SCHEMBL7045337 0.83 CACNA1B (0.65) CACNA1B
SCHEMBL7351020 0.83 CACNA1B (0.52) CACNA1B
SCHEMBL7349326 0.82 CACNA1B (0.59) CACNA1BLMNASMN1; SMN2ALOX5NPC1

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