SCHEMBL7358808

SCHEMBL7358808

CC(C)CCN(c1ccc(OCc2ccccc2)cc1)C1CCN(CC(C)CC(C=O)NC2CCCCC2)CC1

nearest known ligand 0.58

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ CACNA1B Q00975 18/20 0.58
▸ CCR5 P51681 1/20 0.39
▸ LMNA P02545 1/20 0.39
▸ GAA P10253 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ SMN1; SMN2 Q16637 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
SCHEMBL7354866 0.91 CACNA1B (0.57) CACNA1BCCR5LMNAGAARAB9A
SCHEMBL7354496 0.88 CACNA1B (0.54) CACNA1BCCR5LMNAGAARAB9A
SCHEMBL7349589 0.88 CACNA1B (0.69) CACNA1BCCR5LMNAGAARAB9A
SCHEMBL7355987 0.85 CACNA1B (0.55) CACNA1BCCR5LMNAGAARAB9A
SCHEMBL7967526 0.82 CACNA1B (0.65) CACNA1B
SCHEMBL7045126 0.80 CACNA1B (0.81) CACNA1B
SCHEMBL7045341 0.78 CACNA1B (0.59) CACNA1BCCR5LMNAGAARAB9A
SCHEMBL7037966 0.78 CACNA1B (0.59) CACNA1BCCR5LMNAGAARAB9A
SCHEMBL7037965 0.78 CACNA1B (0.59) CACNA1BCCR5LMNAGAARAB9A
SCHEMBL7349612 0.78 CACNA1B (0.67) CACNA1BCCR5LMNAGAARAB9A

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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