SCHEMBL7339685

SCHEMBL7339685

CC(C)C[C@H](NC(=O)N1CCCCCC1)C(=O)N[C@@H](Cc1ccc(OCc2ccccc2)cc1)C(=O)NC1CC(C)(C)NC(C)(C)C1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CACNA1B Q00975 8/20 0.56
PSMB11 A5LHX3 11/20 0.53
PSMA7 O14818 11/20 0.53
PSMB1 P20618 11/20 0.53
PSMA1 P25786 11/20 0.53
PSMA2 P25787 11/20 0.53
PSMA3 P25788 11/20 0.53
PSMA4 P25789 11/20 0.53
PSMB8 P28062 11/20 0.53
PSMB9 P28065 11/20 0.53
PSMA5 P28066 11/20 0.53
PSMB4 P28070 11/20 0.53
PSMB6 P28072 11/20 0.53
PSMB5 P28074 11/20 0.53
PSMB10 P40306 11/20 0.53
PSMB3 P49720 11/20 0.53
PSMB2 P49721 11/20 0.53
PSMA6 P60900 11/20 0.53
PSMA8 Q8TAA3 11/20 0.53
PSMB7 Q99436 11/20 0.53

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
SCHEMBL7338299 0.90 CACNA1B (0.63) CACNA1BPSMB11PSMA7PSMB1PSMA1
SCHEMBL7347454 0.89 CACNA1B (0.62) CACNA1BPSMB11PSMA7PSMB1PSMA1
SCHEMBL7337669 0.87 CACNA1B (0.58) CACNA1BPSMB11PSMA7PSMB1PSMA1
SCHEMBL7339387 0.85 CACNA1B (0.60) CACNA1BPSMB11PSMA7PSMB1PSMA1
SCHEMBL7341349 0.85 EZH2 (0.55) PSMB11PSMA7PSMB1PSMA1PSMA2
SCHEMBL7346412 0.84 CACNA1B (0.59) CACNA1BPSMB11PSMA7PSMB1PSMA1
SCHEMBL7339830 0.84 CACNA1B (0.68) CACNA1BPSMB11PSMA7PSMB1PSMA1
SCHEMBL7338008 0.83 CACNA1B (0.59) CACNA1BPSMB11PSMA7PSMB1PSMA1
SCHEMBL7343211 0.83 CACNA1B (0.59) CACNA1BPSMB11PSMA7PSMB1PSMA1
SCHEMBL7343480 0.83 IL1RN (0.62) CACNA1BPSMB11PSMA7PSMB1PSMA1

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