SCHEMBL7341833

SCHEMBL7341833

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

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CACNA1B Q00975 11/20 0.62
YAP1 P46937 1/20 0.53
IL1RN P18510 1/20 0.51
ERAP2 Q6P179 1/20 0.51
ERAP1 Q9NZ08 1/20 0.51
PSMB11 A5LHX3 3/20 0.51
PSMA7 O14818 3/20 0.51
PSMB1 P20618 3/20 0.51
PSMA1 P25786 3/20 0.51
PSMA2 P25787 3/20 0.51
PSMA3 P25788 3/20 0.51
PSMA4 P25789 3/20 0.51
PSMB8 P28062 3/20 0.51
PSMB9 P28065 3/20 0.51
PSMA5 P28066 3/20 0.51
PSMB4 P28070 3/20 0.51
PSMB6 P28072 3/20 0.51
PSMB5 P28074 3/20 0.51
PSMB10 P40306 3/20 0.51
PSMB3 P49720 3/20 0.51

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
SCHEMBL7340535 0.92 CACNA1B (0.53) CACNA1BYAP1IL1RNERAP2ERAP1
SCHEMBL7347273 0.90 YAP1 (0.53) CACNA1BYAP1PSMB5MMEACE
SCHEMBL7345978 0.90 CACNA1B (0.56) CACNA1BPSMB11PSMA7PSMB1PSMA1
SCHEMBL7338306 0.90 CACNA1B (0.56) CACNA1BPSMB11PSMA7PSMB1PSMA1
SCHEMBL7339830 0.89 CACNA1B (0.68) CACNA1BYAP1IL1RNERAP2ERAP1
SCHEMBL7343112 0.89 CACNA1B (0.57) CACNA1BYAP1IL1RNERAP2ERAP1
SCHEMBL7344054 0.89 CACNA1B (0.51) CACNA1BPSMB11PSMA7PSMB1PSMA1
SCHEMBL7344934 0.89 CACNA1B (0.58) CACNA1BYAP1IL1RNERAP2ERAP1
SCHEMBL21023244 0.89 CACNA1B (0.58) CACNA1BYAP1IL1RNERAP2ERAP1
SCHEMBL7342873 0.89 CACNA1B (0.58) CACNA1BYAP1IL1RNERAP2ERAP1

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