SCHEMBL11095433

SCHEMBL11095433

CSCC[C@@H](N)C(=O)N(C)CCCc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 1/20 0.44
TACR1 P25103 1/20 0.43
GRIK1 P39086 1/20 0.43
SIGMAR1 Q99720 2/20 0.40

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
SCHEMBL7310455 0.84 HPGD (0.52)
SCHEMBL29178344 0.79 AOC3 (0.53) AOC3TACR1SIGMAR1
SCHEMBL29178346 0.79 AOC3 (0.53) AOC3TACR1SIGMAR1
SCHEMBL7355654 0.79 METAP2 (0.54) AOC3TACR1
SCHEMBL11092920 0.78 KMT2A (0.46)
Hydrochloric Acid SCHEMBL11096663 0.78 KMT2A (0.47)
Hydrochloric Acid SCHEMBL7508069 0.78 METAP2 (0.53) AOC3TACR1
Hydrochloric Acid SCHEMBL20569992 0.77 SIGMAR1 (0.47) AOC3TACR1GRIK1SIGMAR1
Hydrochloric Acid SCHEMBL20569994 0.77 SIGMAR1 (0.47) AOC3TACR1GRIK1SIGMAR1
SCHEMBL8086800 0.77 TACR1 (0.41) AOC3TACR1

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-4454120-A CONTAINING TYROSINE EITHER METHIONINE, O-METHIONINE, GLUTAMINE, OR SERINE STERLING DRUG INC. (US) 1984-06-12 US disclosed