SCHEMBL7399140

SCHEMBL7399140

N#Cc1ccc(C=O)c(C#Cc2ccccc2)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 3/20 0.41
TSHR P16473 1/20 0.41
CA2 P00918 3/20 0.39
CA1 P00915 2/20 0.39
APP P05067 1/20 0.39
PTGDR2 Q9Y5Y4 1/20 0.39
MAPT P10636 2/20 0.37
NPC1 O15118 2/20 0.37
KDM4E B2RXH2 1/20 0.37
MEN1 O00255 1/20 0.37
ALDH1A1 P00352 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C9 P11712 1/20 0.37
HPGD P15428 1/20 0.37
CYP2C19 P33261 1/20 0.37
KMT2A Q03164 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
HSD17B10 Q99714 1/20 0.37
FNTA P49354 1/20 0.37

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
SCHEMBL29238522 0.87 FFAR1 (0.41) FFAR1TSHRCA2CA1APP
SCHEMBL30355307 0.81 RAD51 (0.43) CA2CA1ALDH1A1RAD51ENPP2
SCHEMBL10623779 0.81 APP (0.50) FFAR1CA2CA1APPPTGDR2
SCHEMBL6901018 0.81 RAD51 (0.43) CA2CA1ALDH1A1RAD51ENPP2
SCHEMBL10620408 0.79 APP (0.48) FFAR1CA2CA1APPPTGDR2
SCHEMBL28542060 0.79 PTGDR2 (0.50) FFAR1CA2APPPTGDR2MAPT
SCHEMBL30134838 0.79 FFAR1 (0.40) FFAR1TSHRCA2CA1APP
SCHEMBL15428225 0.79 CA12 (0.40) FFAR1CA2CA1APPMAPT
SCHEMBL30134885 0.79 CA12 (0.40) FFAR1CA2CA1APPMAPT
SCHEMBL193992 0.77 KMT2A (0.50) FFAR1TSHRCA2CA1APP

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5863947-A Phenylglycine derivatives useful for treating disorders of the central nervous system ELI LILLY AND COMPANY LIMITED (GB) 1999-01-26 US disclosed
EP-0807621-A1 Derivatives of phenylglycine and use thereof as pharmaceuticals LILLY INDUSTRIES LIMITED (GB) 1997-11-19 EP disclosed