SCHEMBL7425100

SCHEMBL7425100

CC(C)N[C@@H](Cc1ccccc1)C(=O)N1CCN(C(c2ccc(F)cc2)c2ccc(F)cc2)CC1

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CACNA2D1 P54289 1/20 0.54
CACNA1B Q00975 1/20 0.54
CACNB1 Q02641 1/20 0.54
CACNA1C Q13936 1/20 0.54
CHRM1 P11229 2/20 0.50
KMT2A Q03164 2/20 0.48
MEN1 O00255 1/20 0.48
ATM Q13315 1/20 0.48
DPP8 Q6V1X1 4/20 0.47
DPP7 Q9UHL4 3/20 0.47
FAP Q12884 1/20 0.47
DPP9 Q86TI2 1/20 0.47
POLB P06746 2/20 0.47
KDM4E B2RXH2 1/20 0.46
RAB9A P51151 1/20 0.46

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
SCHEMBL7391005 1.00 CACNA2D1 (0.54) CACNA2D1CACNA1BCACNB1CACNA1CCHRM1
SCHEMBL7392303 0.85 CACNA2D1 (0.50) CACNA2D1CACNA1BCACNB1CACNA1CCHRM1
SCHEMBL7659212 0.85 CACNA2D1 (0.50) CACNA2D1CACNA1BCACNB1CACNA1CCHRM1
Hydrochloric Acid SCHEMBL7390089 0.85 CACNA2D1 (0.49) CACNA2D1CACNA1BCACNB1CACNA1CCHRM1
Hydrochloric Acid SCHEMBL7657131 0.85 CACNA2D1 (0.49) CACNA2D1CACNA1BCACNB1CACNA1CCHRM1
SCHEMBL7430775 0.84 CNR1 (0.54) CACNA2D1CACNA1BCACNB1CACNA1CKMT2A
SCHEMBL7428289 0.84 CNR1 (0.54) CACNA2D1CACNA1BCACNB1CACNA1CKMT2A
SCHEMBL7390924 0.84 CACNA2D1 (0.49) CACNA2D1CACNA1BCACNB1CACNA1CDPP8
SCHEMBL7664035 0.84 CACNA2D1 (0.49) CACNA2D1CACNA1BCACNB1CACNA1CDPP8
Hydrochloric Acid SCHEMBL7653866 0.83 CACNA1B (0.48) CACNA2D1CACNA1BCACNB1CACNA1CDPP8

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
US-6458781-B1 BLOCKERS CALCIUM CHANNEL ANTAGONISTS FOR STROKES, BRAIN DISORDERS WARNER-LAMBERT COMPANY 2002-10-01 US disclosed
WO-1999055688-A1 SUBSTITUTED DIARYLALKYL AMIDES AS CALCIUM CHANNEL ANTAGONISTS WARNER-LAMBERT COMPANY (US) 1999-11-04 WO disclosed