SCHEMBL7339756

SCHEMBL7339756

CC(C)C[C@H](NC(=O)N1CCCCCC1)C(=O)N[C@@H](Cc1ccc(C=Cc2ccccc2)cc1)C(=O)NC(C)(C)C

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CACNA1B Q00975 4/20 0.54
PSMB2 P49721 12/20 0.49
PSMB5 P28074 12/20 0.49
PSMB8 P28062 11/20 0.49
PSMB9 P28065 11/20 0.49
PSMB10 P40306 11/20 0.49
PSMB1 P20618 11/20 0.49
PSMB11 A5LHX3 10/20 0.49
PSMA7 O14818 10/20 0.49
PSMA1 P25786 10/20 0.49
PSMA2 P25787 10/20 0.49
PSMA3 P25788 10/20 0.49
PSMA4 P25789 10/20 0.49
PSMA5 P28066 10/20 0.49
PSMB4 P28070 10/20 0.49
PSMB6 P28072 10/20 0.49
PSMB3 P49720 10/20 0.49
PSMA6 P60900 10/20 0.49
PSMA8 Q8TAA3 10/20 0.49
PSMB7 Q99436 10/20 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
SCHEMBL7345978 0.90 CACNA1B (0.56) CACNA1BPSMB2PSMB5PSMB8PSMB9
SCHEMBL7338306 0.90 CACNA1B (0.56) CACNA1BPSMB2PSMB5PSMB8PSMB9
SCHEMBL7345997 0.88 CACNA1B (0.46) CACNA1BPSMB2PSMB5PSMB8PSMB9
SCHEMBL7345205 0.88 CACNA1B (0.54) CACNA1BPSMB2PSMB5PSMB8PSMB9
SCHEMBL7347240 0.87 CACNA1B (0.45) CACNA1BPSMB2PSMB5PSMB8PSMB9
SCHEMBL7337684 0.86 CACNA1B (0.51) CACNA1BPSMB2PSMB5PSMB8PSMB9
SCHEMBL7348732 0.86 CACNA1B (0.51) CACNA1BPSMB2PSMB5PSMB8PSMB9
SCHEMBL7341833 0.86 CACNA1B (0.62) CACNA1BPSMB2PSMB5PSMB8PSMB9
SCHEMBL7337022 0.86 CACNA1B (0.53) CACNA1BPSMB2PSMB5PSMB8PSMB9
SCHEMBL7346889 0.85 CACNA1B (0.56) CACNA1BPSMB2PSMB5PSMB8PSMB9

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