SCHEMBL7480901

SCHEMBL7480901

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

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CACNA1B Q00975 9/20 0.58
CTSL P07711 5/20 0.55
CTSK P43235 5/20 0.55
YAP1 P46937 1/20 0.48
PTPN1 P18031 1/20 0.47
CTSS P25774 1/20 0.47
PSMB11 A5LHX3 1/20 0.46
PSMA7 O14818 1/20 0.46
PSMB1 P20618 1/20 0.46
PSMA1 P25786 1/20 0.46
PSMA2 P25787 1/20 0.46
PSMA3 P25788 1/20 0.46
PSMA4 P25789 1/20 0.46
PSMB8 P28062 1/20 0.46
PSMB9 P28065 1/20 0.46
PSMA5 P28066 1/20 0.46
PSMB4 P28070 1/20 0.46
PSMB6 P28072 1/20 0.46
PSMB5 P28074 1/20 0.46
PSMB10 P40306 1/20 0.46

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
SCHEMBL7547062 0.88 CACNA1B (0.57) CACNA1BCTSLCTSKYAP1CTSS
SCHEMBL7341833 0.86 CACNA1B (0.62) CACNA1BYAP1PTPN1PSMB11PSMA7
SCHEMBL7343211 0.85 CACNA1B (0.59) CACNA1BCTSLCTSKYAP1PTPN1
SCHEMBL7963499 0.85 CACNA1B (0.61) CACNA1BCTSLCTSKYAP1CTSS
SCHEMBL7339830 0.84 CACNA1B (0.68) CACNA1BCTSLYAP1CTSSPSMB11
SCHEMBL7342880 0.84 CACNA1B (0.58) CACNA1BYAP1PSMB11PSMA7PSMB1
SCHEMBL7342873 0.84 CACNA1B (0.58) CACNA1BYAP1PSMB11PSMA7PSMB1
SCHEMBL7344934 0.84 CACNA1B (0.58) CACNA1BYAP1PSMB11PSMA7PSMB1
SCHEMBL21023244 0.84 CACNA1B (0.58) CACNA1BYAP1PSMB11PSMA7PSMB1
SCHEMBL7344929 0.84 CACNA1B (0.58) CACNA1BYAP1PSMB11PSMA7PSMB1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2000006559-A1 REDUCED DIPEPTIDE ANALOGUES AS CALCIUM CHANNEL ANTAGONISTS WARNER-LAMBERT COMPANY (US) 2000-02-10 WO claimed
US-6362174-B1 ANALGESICS, ANTIISCHEMIC AGENTS, ANTIEOILEPTIC AGENTS WARNER-LAMBERT COMPANY 2002-03-26 US disclosed
WO-2000006559-A1 REDUCED DIPEPTIDE ANALOGUES AS CALCIUM CHANNEL ANTAGONISTS WARNER-LAMBERT COMPANY (US) 2000-02-10 WO disclosed