SCHEMBL9009869

SCHEMBL9009869

CCS(=O)(=O)NC1(OC(C)=O)CCCCC1

nearest known ligand 0.41

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.34

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
SCHEMBL9009914 0.82 NPSR1 (0.36) NPSR1
Hydrochloric Acid SCHEMBL1021423 0.74 NPSR1 (0.32) NPSR1
SCHEMBL9009859 0.72 HTT (0.37) NPSR1
SCHEMBL4722847 0.67 ALDH1A1 (0.44)
SCHEMBL7618312 0.67 CYP2C19 (0.41) NPSR1
SCHEMBL13649534 0.66 ALDH1A1 (0.32)
SCHEMBL14883391 0.66 ALDH1A1 (0.32)
SCHEMBL7638963 0.66 ALDH1A1 (0.32)
SCHEMBL440062 0.66 ALDH1A1 (0.32)
SCHEMBL1162997 0.64 BTK (0.36)

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
EP-0471280-B1 Trans-2-acylaminocyclohexyloxyacyldipeptides UNIV LJUBLJANI (YU) 1996-11-06 EP disclosed
US-5231216-A Trans-2-acylaminocyclohexyloxyacyldipeptides in the form of mixtures of diastereoisomers thereof and in the form of pure diasteredisomers, process for the preparation thereof and pharmaceutical compositions containing the same UNIVERZA EDVARDA KARDELJA V LJUBLJANA (YU) 1993-07-27 US disclosed
EP-0471280-A2 Trans-2-acylaminocyclohexyloxyacyldipeptides UNIVERZA EDVARDA KARDELJA V LJUBLJANI, VDO FAKULTETA ZA NARAVOSLOVJE IN TEHNOLOGIJO, N.SOL.O., LUBLJANA (YU) 1992-02-19 EP disclosed