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SCHEMBL7355681

SCHEMBL7355681

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

nearest known ligand 0.62

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ CACNA1B Q00975 15/20 0.62
▸ CCR5 P51681 1/20 0.41
▸ KDM4E B2RXH2 2/20 0.40
▸ ALDH1A1 P00352 1/20 0.39
▸ LMNA P02545 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
SCHEMBL7383462 0.90 CACNA1B (0.64) CACNA1BCCR5KDM4EALDH1A1
SCHEMBL7348102 0.89 CACNA1B (0.68) CACNA1BCCR5KDM4EALDH1A1LMNA
SCHEMBL7349612 0.87 CACNA1B (0.67) CACNA1BCCR5KDM4EALDH1A1LMNA
SCHEMBL7349589 0.84 CACNA1B (0.69) CACNA1BCCR5ALDH1A1LMNA
SCHEMBL7040887 0.83 CACNA1B (0.73) CACNA1BCCR5LMNA
SCHEMBL7040882 0.83 CACNA1B (0.73) CACNA1BCCR5LMNA
SCHEMBL7041837 0.83 CACNA1B (0.73) CACNA1BCCR5LMNA
SCHEMBL7350421 0.81 CACNA1B (0.54) CACNA1BCCR5KDM4EALDH1A1LMNA
SCHEMBL7391285 0.81 CACNA1B (0.72) CACNA1BKDM4EALDH1A1LMNA
SCHEMBL7354424 0.81 CACNA1B (0.57) 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 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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