SCHEMBL7388947

SCHEMBL7388947

CC(C)CC(NC(=O)N1CCCCCC1)C(=O)NCCC(c1ccccc1)c1ccccc1

nearest known ligand 0.64

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ EPHX2 P34913 2/20 0.64
▸ CTSS P25774 6/20 0.53
▸ GAA P10253 1/20 0.51
▸ CNR1 P21554 2/20 0.47
▸ CNR2 P34972 2/20 0.47
▸ CACNA1B Q00975 3/20 0.46
▸ CASR P41180 1/20 0.46
▸ CAPN1 P07384 1/20 0.45
▸ MTNR1A P48039 1/20 0.45
▸ MTNR1B P49286 1/20 0.45

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
SCHEMBL7389626 0.84 CACNA1B (0.67) EPHX2CTSSGAACACNA1BCAPN1
SCHEMBL7391081 0.84 CTSS (0.59) CTSSGAACACNA1B
SCHEMBL7422164 0.76 CACNA1B (0.61) CTSSGAACACNA1BCAPN1
SCHEMBL7393887 0.76 CACNA1B (0.57) GAACNR1CNR2CACNA1B
SCHEMBL7429201 0.75 CACNA1B (0.66) CTSSGAACACNA1BCAPN1
SCHEMBL7341276 0.74 CACNA1B (0.58) CTSSCACNA1B
SCHEMBL7343417 0.74 CACNA1B (0.58) CTSSCACNA1B
SCHEMBL7037594 0.74 CACNA1B (0.60) CTSSGAACACNA1B
SCHEMBL7037597 0.74 CACNA1B (0.60) CTSSGAACACNA1B
SCHEMBL7342473 0.74 CACNA1B (0.60) CTSSGAACACNA1B

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-1999055688-A1 SUBSTITUTED DIARYLALKYL AMIDES AS CALCIUM CHANNEL ANTAGONISTS WARNER-LAMBERT COMPANY (US) 1999-11-04 — — WO disclosed
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