SCHEMBL7349612

SCHEMBL7349612

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

nearest known ligand 0.67

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CACNA1B Q00975 15/20 0.67
▸ LMNA P02545 1/20 0.40
▸ GAA P10253 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ MEN1 O00255 1/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ TP53 P04637 1/20 0.39
▸ ALOX15 P16050 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ CCR5 P51681 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
SCHEMBL7349589 0.91 CACNA1B (0.69) CACNA1BLMNAGAARAB9ASMN1; SMN2
SCHEMBL7383462 0.89 CACNA1B (0.64) CACNA1BRAB9AMEN1NPC1ALDH1A1
SCHEMBL7348102 0.88 CACNA1B (0.68) CACNA1BLMNAALDH1A1KDM4ECCR5
SCHEMBL7354866 0.87 CACNA1B (0.57) CACNA1BLMNAGAARAB9ASMN1; SMN2
SCHEMBL7355681 0.87 CACNA1B (0.62) CACNA1BLMNAALDH1A1KDM4ECCR5
SCHEMBL7350421 0.86 CACNA1B (0.54) CACNA1BLMNAGAARAB9ASMN1; SMN2
SCHEMBL7040882 0.82 CACNA1B (0.73) CACNA1BLMNAGAARAB9ASMN1; SMN2
SCHEMBL7041837 0.82 CACNA1B (0.73) CACNA1BLMNAGAARAB9ASMN1; SMN2
SCHEMBL7040887 0.82 CACNA1B (0.73) CACNA1BLMNAGAARAB9ASMN1; SMN2
SCHEMBL7355814 0.81 CACNA1B (0.60) CACNA1BMEN1KMT2ACCR5

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
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