SCHEMBL9642437

SCHEMBL9642437

CC(C)(C)OC(=O)N[C@@H](Cc1cncn1COCc1ccccc1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)c1nccn1COCc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
REN P00797 20/20 0.48
PGC P20142 1/20 0.45

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
SCHEMBL9642432 0.90 REN (0.39) RENPGC
SCHEMBL7382471 0.87 CTSS (0.39) REN
SCHEMBL9574994 0.85 REN (0.47) RENPGC
SCHEMBL7399224 0.85 REN (0.55) RENPGC
SCHEMBL9575025 0.84 REN (0.46) RENPGC
SCHEMBL7417069 0.84 REN (0.50) REN
SCHEMBL7367978 0.84 CTSS (0.37) REN
SCHEMBL7321559 0.82 CTSS (0.36) REN
SCHEMBL9641169 0.79 CTSS (0.41) REN
SCHEMBL7316845 0.79 CTSS (0.41) REN

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-5151513-A N-HETEROCYCLIC ALCOHOL DERIVATIVES E. R. SQUIBB & SONS, INC. (US) 1992-09-29 US disclosed