SCHEMBL7349766

SCHEMBL7349766

CC(C)=CCN(c1ccc(CCc2ccccc2)cc1)C1CCN(C(=O)CC(C)CC(N)=O)CC1

nearest known ligand 0.58

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ CACNA1B Q00975 9/20 0.58
▸ KMT2A Q03164 2/20 0.45
▸ MEN1 O00255 1/20 0.45
▸ OPRD1 P41143 3/20 0.37
▸ TDP1 Q9NUW8 1/20 0.37
▸ SIGMAR1 Q99720 1/20 0.36
▸ OPRM1 P35372 1/20 0.36
▸ POLB P06746 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
SCHEMBL7359516 0.89 CACNA1B (0.70) CACNA1BOPRD1
SCHEMBL7041834 0.81 CACNA1B (0.57) CACNA1BKMT2AMEN1OPRD1SIGMAR1
SCHEMBL7041836 0.81 CACNA1B (0.79) CACNA1BKMT2AOPRD1
SCHEMBL7043719 0.81 CACNA1B (0.79) CACNA1BKMT2AOPRD1
SCHEMBL7043700 0.81 CACNA1B (0.79) CACNA1BKMT2AOPRD1
SCHEMBL7043712 0.80 CACNA1B (0.62) CACNA1BOPRD1
SCHEMBL7043708 0.80 CACNA1B (0.62) CACNA1BOPRD1
SCHEMBL7357575 0.80 CACNA1B (0.47) CACNA1BKMT2AMEN1OPRD1TDP1
SCHEMBL7351921 0.79 CACNA1B (0.65) CACNA1BKMT2A
SCHEMBL7037543 0.78 CACNA1B (0.60) CACNA1BKMT2AMEN1

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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