SCHEMBL7345553

SCHEMBL7345553

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CACNA1B Q00975 4/20 0.47
IL1RN P18510 5/20 0.47
ERAP2 Q6P179 5/20 0.47
ERAP1 Q9NZ08 4/20 0.46
REN P00797 3/20 0.46
CTSS P25774 2/20 0.44
FOLH1 Q04609 1/20 0.43
LY96 Q9Y6Y9 1/20 0.43
NPY1R P25929 1/20 0.43
NPY4R P50391 1/20 0.43
MMP1 P03956 1/20 0.43
POLB P06746 1/20 0.42
MAPT P10636 1/20 0.42
ATM Q13315 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
CTSK P43235 1/20 0.42
PSMB11 A5LHX3 1/20 0.42
PSMA7 O14818 1/20 0.42
PSMB1 P20618 1/20 0.42

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
SCHEMBL7345558 1.00 CACNA1B (0.47) CACNA1BIL1RNERAP2ERAP1REN
SCHEMBL7342868 0.91 CTSL (0.47) CACNA1BRENCTSSMMP1CTSK
SCHEMBL7338648 0.91 MMP1 (0.53) CACNA1BRENMMP1PSMB11PSMA7
SCHEMBL7342865 0.91 CTSL (0.47) CACNA1BRENCTSSMMP1CTSK
SCHEMBL7338655 0.91 MMP1 (0.53) CACNA1BRENMMP1PSMB11PSMA7
SCHEMBL7344934 0.89 CACNA1B (0.58) CACNA1BIL1RNERAP2ERAP1REN
SCHEMBL7344929 0.89 CACNA1B (0.58) CACNA1BIL1RNERAP2ERAP1REN
SCHEMBL7342435 0.89 CACNA1B (0.50) CACNA1BIL1RNERAP2ERAP1REN
SCHEMBL7342880 0.89 CACNA1B (0.58) CACNA1BIL1RNERAP2ERAP1REN
SCHEMBL21023244 0.89 CACNA1B (0.58) CACNA1BIL1RNERAP2ERAP1REN

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