SCHEMBL7345176

SCHEMBL7345176

CC(C)CC(N)C(=O)NC(Cc1ccc(OCc2ccccc2)cc1)C(=O)N1CCC(N2CCCCC2)CC1

nearest known ligand 0.57

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CACNA1B Q00975 8/20 0.57
CALCRL Q16602 5/20 0.52
OPRK1 P41145 5/20 0.51
CYP3A4 P08684 1/20 0.49
DPP7 Q9UHL4 1/20 0.49

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
SCHEMBL7340762 0.92 CACNA1B (0.59) CACNA1BOPRK1DPP7
SCHEMBL7338929 0.90 CACNA1B (0.67) CACNA1BCALCRLCYP3A4
SCHEMBL7343479 0.89 CACNA1B (0.55) CACNA1BOPRK1
SCHEMBL7347989 0.88 CACNA1B (0.53) CACNA1BOPRK1
SCHEMBL7336001 0.86 CACNA1B (0.52) CACNA1BOPRK1DPP7
SCHEMBL7348697 0.86 CACNA1B (0.51) CACNA1BOPRK1CYP3A4DPP7
SCHEMBL7338706 0.85 CACNA1B (0.49) CACNA1BOPRK1DPP7
SCHEMBL7341217 0.85 TACR2 (0.50) CACNA1BDPP7
SCHEMBL7339911 0.85 CACNA1B (0.52) CACNA1BOPRK1
SCHEMBL7347682 0.85 CACNA1B (0.51) CACNA1BOPRK1DPP7

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-6423689-B1 Peptidyl calcium channel blockers WARNER-LAMBERT COMPANY 2002-07-23 US claimed
US-6423689-B1 Peptidyl calcium channel blockers WARNER-LAMBERT COMPANY 2002-07-23 US disclosed