SCHEMBL5199831

SCHEMBL5199831

CCCc1c(OCc2ccc(C(F)c3cccc(-c4nnn[nH]4)c3)cc2)ccc(CC=O)c1O

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.38
CYP1A2 P05177 1/20 0.38
MAPT P10636 1/20 0.38
TSHR P16473 1/20 0.38
KMT2A Q03164 1/20 0.38
HSD17B10 Q99714 1/20 0.38
CYSLTR1 Q9Y271 11/20 0.38
CYSLTR2 Q9NS75 2/20 0.38
GRM2 Q14416 9/20 0.37
CTSD P07339 7/20 0.31

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
SCHEMBL13108399 0.86 CYSLTR1 (0.54) MEN1TSHRKMT2ACYSLTR1CYSLTR2
SCHEMBL13108391 0.86 CYSLTR1 (0.54) MEN1TSHRKMT2ACYSLTR1CYSLTR2
SCHEMBL481199 0.86 CYSLTR1 (0.54) MEN1TSHRKMT2ACYSLTR1CYSLTR2
SCHEMBL481076 0.78 CYSLTR1 (0.55) MEN1TSHRKMT2ACYSLTR1CYSLTR2
SCHEMBL27686243 0.78 GRM2 (0.36) MAPTCYSLTR1GRM2
SCHEMBL480949 0.77 CYSLTR1 (0.54) MEN1TSHRKMT2ACYSLTR1CYSLTR2
SCHEMBL481066 0.76 CYSLTR1 (0.53) MEN1TSHRKMT2ACYSLTR1CYSLTR2
SCHEMBL481219 0.76 GRM2 (0.52) MAPTCYSLTR1CYSLTR2GRM2
SCHEMBL481160 0.75 CYSLTR1 (0.52) MEN1TSHRKMT2ACYSLTR1CYSLTR2
SCHEMBL27686236 0.75 GRM2 (0.38) MAPTCYSLTR1GRM2

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
EP-1817301-A1 POTENTIATORS OF GLUTAMATE RECEPTORS ELI LILLY AND COMPANY (US) 2007-08-15 EP disclosed
WO-2006057870-A1 POTENTIATORS OF GLUTAMATE RECEPTORS ELI LILLY AND COMPANY (US) 2006-06-01 WO disclosed