SCHEMBL7354866

SCHEMBL7354866

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

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CACNA1B Q00975 14/20 0.57
▸ LMNA P02545 1/20 0.41
▸ GAA P10253 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ CCR5 P51681 1/20 0.40
▸ MEN1 O00255 1/20 0.38
▸ NPC1 O15118 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ TP53 P04637 1/20 0.38
▸ ALOX15 P16050 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ KDM4E B2RXH2 1/20 0.38

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
SCHEMBL7354496 0.91 CACNA1B (0.54) CACNA1BLMNAGAARAB9ASMN1; SMN2
SCHEMBL7358808 0.91 CACNA1B (0.58) CACNA1BLMNAGAARAB9ASMN1; SMN2
SCHEMBL7967526 0.89 CACNA1B (0.65) CACNA1B
SCHEMBL7355987 0.87 CACNA1B (0.55) CACNA1BLMNAGAARAB9ASMN1; SMN2
SCHEMBL7349612 0.87 CACNA1B (0.67) CACNA1BLMNAGAARAB9ASMN1; SMN2
SCHEMBL7045341 0.81 CACNA1B (0.59) CACNA1BLMNAGAARAB9ASMN1; SMN2
SCHEMBL7037966 0.81 CACNA1B (0.59) CACNA1BLMNAGAARAB9ASMN1; SMN2
SCHEMBL7037965 0.81 CACNA1B (0.59) CACNA1BLMNAGAARAB9ASMN1; SMN2
SCHEMBL7391996 0.80 CACNA1B (0.59) CACNA1BLMNAGAARAB9ASMN1; SMN2
SCHEMBL7354530 0.79 CACNA1B (0.46) 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
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