SCHEMBL839943

SCHEMBL839943

CCOC(=O)[C@H](N)Cc1ccc2ccccc2c1

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.55
HTR2C P28335 1/20 0.55
HTR2B P41595 1/20 0.55
TACR1 P25103 3/20 0.51
DPP4 P27487 1/20 0.50
OPRD1 P41143 1/20 0.48
SLC1A3 P43003 1/20 0.47
SLC1A2 P43004 1/20 0.47
SLC1A1 P43005 1/20 0.47
MC4R P32245 2/20 0.46
MC5R P33032 2/20 0.46
MC3R P41968 2/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2A6 P11509 1/20 0.46
PTPN1 P18031 1/20 0.45
GAA P10253 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
SCHEMBL839749 1.00 HTR2A (0.55) HTR2AHTR2CHTR2BTACR1DPP4
SCHEMBL4633497 0.87 HTR2A (0.57) HTR2AHTR2CHTR2BTACR1DPP4
SCHEMBL237566 0.87 HTR2A (0.57) HTR2AHTR2CHTR2BTACR1DPP4
SCHEMBL5845125 0.87 HTR2A (0.57) HTR2AHTR2CHTR2BTACR1DPP4
SCHEMBL31264973 0.86 AGER (0.52) HTR2AHTR2CHTR2BTACR1DPP4
Hydrochloric Acid SCHEMBL2896538 0.85 HTR2A (0.55) HTR2AHTR2CHTR2BTACR1DPP4
Hydrochloric Acid SCHEMBL237565 0.85 HTR2A (0.55) HTR2AHTR2CHTR2BTACR1DPP4
SCHEMBL245249 0.85 HTR2A (0.55) HTR2AHTR2CHTR2BTACR1DPP4
Hydrochloric Acid SCHEMBL4633494 0.85 HTR2A (0.55) HTR2AHTR2CHTR2BTACR1DPP4
SCHEMBL466696 0.85 HTR2A (0.55) HTR2AHTR2CHTR2BTACR1DPP4

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-8143052-B2 Process for preparing optically active (S or R)-α amino acid and (R or S)-α amino acid ester in one phase organic reaction medium UBE INDUSTRIES, LTD. (JP) 2012-03-27 US disclosed