SCHEMBL7345251

SCHEMBL7345251

CC(C)C[C@H](NC(=O)N1CCCCCC1)C(=O)N[C@@H](Cc1ccc(OCc2ccccc2)cc1)C(=O)NCCN1CCOCC1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TACR2 P21452 14/20 0.60
PSMB11 A5LHX3 1/20 0.59
PSMA7 O14818 1/20 0.59
PSMB1 P20618 1/20 0.59
PSMA1 P25786 1/20 0.59
PSMA2 P25787 1/20 0.59
PSMA3 P25788 1/20 0.59
PSMA4 P25789 1/20 0.59
PSMB8 P28062 1/20 0.59
PSMB9 P28065 1/20 0.59
PSMA5 P28066 1/20 0.59
PSMB4 P28070 1/20 0.59
PSMB6 P28072 1/20 0.59
PSMB5 P28074 1/20 0.59
PSMB10 P40306 1/20 0.59
PSMB3 P49720 1/20 0.59
PSMB2 P49721 1/20 0.59
PSMA6 P60900 1/20 0.59
PSMA8 Q8TAA3 1/20 0.59
PSMB7 Q99436 1/20 0.59

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
SCHEMBL7342593 0.97 TACR2 (0.58) TACR2PSMB11PSMA7PSMB1PSMA1
SCHEMBL7337619 0.94 CACNA1B (0.57) TACR2PSMB11PSMA7PSMB1PSMA1
SCHEMBL7340969 0.94 CACNA1B (0.57) TACR2PSMB11PSMA7PSMB1PSMA1
SCHEMBL7341412 0.90 TACR2 (0.58) TACR2CACNA1BCTSS
SCHEMBL7341276 0.89 CACNA1B (0.58) PSMB11PSMA7PSMB1PSMA1PSMA2
SCHEMBL7343417 0.89 CACNA1B (0.58) PSMB11PSMA7PSMB1PSMA1PSMA2
SCHEMBL7344537 0.88 TACR2 (0.64) TACR2MMP2MMP9MMP8
SCHEMBL7345737 0.88 CACNA1B (0.62) PSMB11PSMA7PSMB1PSMA1PSMA2
SCHEMBL7339817 0.88 CACNA1B (0.62) PSMB11PSMA7PSMB1PSMA1PSMA2
SCHEMBL7408901 0.88 TACR2 (0.54) TACR2PSMB11PSMA7PSMB1PSMA1

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