SCHEMBL7345205

SCHEMBL7345205

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
CTSS P25774 4/20 0.49
PSMB2 P49721 10/20 0.49
PSMB8 P28062 9/20 0.49
PSMB9 P28065 9/20 0.49
PSMB5 P28074 9/20 0.49
PSMB10 P40306 9/20 0.49
PSMB1 P20618 9/20 0.49
PSMB11 A5LHX3 8/20 0.49
PSMA7 O14818 8/20 0.49
PSMA1 P25786 8/20 0.49
PSMA2 P25787 8/20 0.49
PSMA3 P25788 8/20 0.49
PSMA4 P25789 8/20 0.49
PSMA5 P28066 8/20 0.49
PSMB4 P28070 8/20 0.49
PSMB6 P28072 8/20 0.49
PSMB3 P49720 8/20 0.49
PSMA6 P60900 8/20 0.49
PSMA8 Q8TAA3 8/20 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
SCHEMBL7343336 0.91 CACNA1B (0.48) CACNA1BCTSSPSMB2PSMB8PSMB9
SCHEMBL7346892 0.90 CACNA1B (0.47) CACNA1BCTSSPSMB2PSMB8PSMB9
SCHEMBL7338306 0.90 CACNA1B (0.56) CACNA1BCTSSPSMB2PSMB8PSMB9
SCHEMBL7345978 0.90 CACNA1B (0.56) CACNA1BCTSSPSMB2PSMB8PSMB9
SCHEMBL7347369 0.88 CACNA1B (0.46) CACNA1BCTSSPSMB2PSMB8PSMB9
SCHEMBL7341953 0.88 CACNA1B (0.46) CACNA1BCTSSPSMB2PSMB8PSMB9
SCHEMBL7341833 0.88 CACNA1B (0.62) CACNA1BPSMB2PSMB8PSMB9PSMB5
SCHEMBL7339756 0.88 CACNA1B (0.54) CACNA1BCTSSPSMB2PSMB8PSMB9
SCHEMBL7348732 0.86 CACNA1B (0.51) CACNA1BCTSSPSMB2PSMB8PSMB9
SCHEMBL7337684 0.86 CACNA1B (0.51) CACNA1BCTSSPSMB2PSMB8PSMB9

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