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SCHEMBL6891485

SCHEMBL6891485

CC(C)C[C@@H](C(=O)NCC(C)(C)c1ccccc1)N(C)C(=O)[C@H](Cc1cn(C(c2ccccc2)(c2ccccc2)c2ccccc2)cn1)NC(=O)OCc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ NMBR P28336 1/20 0.49
▸ SIRT2 Q8IXJ6 11/20 0.46
▸ HRAS P01112 1/20 0.42
▸ CTSK P43235 6/20 0.42
▸ CTSS P25774 3/20 0.41
▸ CTSL P07711 2/20 0.41
▸ CTSB P07858 2/20 0.41

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
SCHEMBL6890589 0.90 HRAS (0.50) NMBRSIRT2HRAS
SCHEMBL6890435 0.86 HRAS (0.46) NMBRSIRT2HRAS
SCHEMBL7949467 0.81 NMBR (0.51) NMBRSIRT2HRASCTSKCTSS
SCHEMBL6885356 0.80 HRAS (0.62) HRASCTSKCTSB
SCHEMBL6814437 0.79 HRAS (0.52) NMBRSIRT2HRAS
SCHEMBL7710727 0.78 HRAS (0.51) NMBRSIRT2HRAS
SCHEMBL6809813 0.78 HRAS (0.51) NMBRSIRT2HRAS
SCHEMBL6817603 0.78 SIRT2 (0.55) NMBRSIRT2CTSSCTSLCTSB
SCHEMBL6817597 0.78 SIRT2 (0.55) NMBRSIRT2CTSSCTSLCTSB
SCHEMBL29399592 0.78 SIRT2 (0.55) NMBRSIRT2CTSSCTSLCTSB

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-6737410-B1 SMOOTH MUSCLE ANTIPROLIFERATION AGENTS; SUCH AS 1-((2-(4-BENZYLOXY-PHENYL)-1-PHENETHYLCARBAMOYL-ETHYL)-METHYL-CARBAMOYL)-2 -(1H-IMIDAZOL-4-YL)-ETHYL)-CARBAMIC ACID BENZYL ESTER WARNER-LAMBERT COMPANY 2004-05-18 — — US disclosed