SCHEMBL7349589

SCHEMBL7349589

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

nearest known ligand 0.69

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CACNA1B Q00975 16/20 0.69
▸ CCR5 P51681 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ GAA P10253 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ POLB P06746 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ MEN1 O00255 1/20 0.37
▸ NPC1 O15118 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ TP53 P04637 1/20 0.37
▸ ALOX15 P16050 1/20 0.37
▸ KMT2A Q03164 1/20 0.37

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 0.91 CACNA1B (0.67) CACNA1BCCR5LMNAGAARAB9A
SCHEMBL7358808 0.88 CACNA1B (0.58) CACNA1BCCR5LMNAGAARAB9A
SCHEMBL7383462 0.86 CACNA1B (0.64) CACNA1BCCR5RAB9APOLBL3MBTL1
SCHEMBL7348102 0.85 CACNA1B (0.68) CACNA1BCCR5LMNAALDH1A1
SCHEMBL7355681 0.84 CACNA1B (0.62) CACNA1BCCR5LMNAALDH1A1
SCHEMBL7350421 0.83 CACNA1B (0.54) CACNA1BCCR5LMNAGAARAB9A
SCHEMBL7041266 0.82 CACNA1B (1.00) CACNA1B
SCHEMBL7041272 0.82 CACNA1B (1.00) CACNA1B
SCHEMBL7355814 0.80 CACNA1B (0.60) CACNA1BCCR5L3MBTL1MEN1KMT2A
SCHEMBL7040882 0.79 CACNA1B (0.73) 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 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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