SCHEMBL7350421

SCHEMBL7350421

CC(C)=CCN(c1ccc(OCc2ccccc2)cc1)C1CCN(CC(C)CC(C=O)NCc2ccc[nH]2)CC1

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CACNA1B Q00975 15/20 0.54
▸ RAB9A P51151 2/20 0.36
▸ LMNA P02545 1/20 0.36
▸ GAA P10253 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ NPC1 O15118 2/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ TP53 P04637 1/20 0.35
▸ ALOX15 P16050 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ CCR5 P51681 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.34

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
SCHEMBL7349612 0.86 CACNA1B (0.67) CACNA1BRAB9ALMNAGAASMN1; SMN2
SCHEMBL7349589 0.83 CACNA1B (0.69) CACNA1BRAB9ALMNAGAASMN1; SMN2
SCHEMBL7383462 0.83 CACNA1B (0.64) CACNA1BRAB9ANPC1MEN1ALDH1A1
SCHEMBL7039916 0.82 CACNA1B (0.77) CACNA1B
SCHEMBL7039919 0.82 CACNA1B (0.77) CACNA1B
SCHEMBL7348102 0.82 CACNA1B (0.68) CACNA1BLMNAALDH1A1CCR5KDM4E
SCHEMBL7425461 0.82 CACNA1B (0.66) CACNA1BRAB9ASMN1; SMN2NPC1MEN1
SCHEMBL7355681 0.81 CACNA1B (0.62) CACNA1BLMNAALDH1A1CCR5KDM4E
SCHEMBL7354496 0.79 CACNA1B (0.54) CACNA1BRAB9ALMNAGAASMN1; SMN2
SCHEMBL7040882 0.77 CACNA1B (0.73) CACNA1BRAB9ALMNAGAASMN1; SMN2

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
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