SCHEMBL7347443

SCHEMBL7347443

CC(C)CCN(c1ccc(OCc2ccc(Cl)cc2)cc1)C1CCN(CCC(C)C(N)C=O)CC1

nearest known ligand 0.46

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ CACNA1B Q00975 12/20 0.46
▸ CCR5 P51681 2/20 0.40
▸ HTR2A P28223 2/20 0.37
▸ SIGMAR1 Q99720 2/20 0.37
▸ NPY1R P25929 1/20 0.36

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
SCHEMBL7348708 0.92 CACNA1B (0.46) CACNA1BCCR5HTR2A
SCHEMBL7355063 0.92 CACNA1B (0.55) CACNA1BCCR5
SCHEMBL7357987 0.90 CCR5 (0.38) CACNA1BCCR5SIGMAR1
SCHEMBL7359587 0.85 CACNA1B (0.46) CACNA1BHTR2ASIGMAR1
SCHEMBL7351179 0.84 CACNA1B (0.40) CACNA1BCCR5HTR2A
SCHEMBL7350731 0.83 CACNA1B (0.42) CACNA1BHTR2A
SCHEMBL7043607 0.82 CACNA1B (0.45) CACNA1BCCR5HTR2ASIGMAR1
SCHEMBL7043604 0.82 CACNA1B (0.45) CACNA1BCCR5HTR2ASIGMAR1
SCHEMBL7043507 0.82 CACNA1B (0.49) CACNA1BHTR2ASIGMAR1
SCHEMBL7043502 0.82 CACNA1B (0.49) CACNA1BHTR2ASIGMAR1

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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