SCHEMBL13768367

SCHEMBL13768367

CC(=O)N1CCc2ccc(Cl)c(C#Cc3ccccn3)c2CC1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 7/20 0.44
PTAFR P25105 6/20 0.43
NOTUM Q6P988 1/20 0.39
ALDH1A1 P00352 2/20 0.37
HPGD P15428 2/20 0.37
HSD17B10 Q99714 2/20 0.37
HRH1 P35367 1/20 0.37
FNTA P49354 1/20 0.37
FNTB P49356 1/20 0.37
SLC6A15 Q9H2J7 1/20 0.37
USP2 O75604 1/20 0.37
TSHR P16473 1/20 0.37
HIF1A Q16665 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
SCHEMBL507681 0.87 GRM5 (0.43) GRM5ALDH1A1
SCHEMBL10229387 0.76 GRM5 (0.48) GRM5
Succinic Acid SCHEMBL507211 0.74 FFAR1 (0.43) GRM5
SCHEMBL13768368 0.74 PTAFR (0.43) PTAFRNOTUMALDH1A1HPGDHSD17B10
SCHEMBL507382 0.74 GRM5 (0.45) GRM5FNTAFNTB
SCHEMBL507887 0.70 ESR1 (0.43) NOTUM
SCHEMBL3963048 0.70 ESR1 (0.43) GRM5ALDH1A1HPGD
SCHEMBL3961806 0.70 ESR2 (0.46) GRM5
SCHEMBL10884112 0.69 ADRA2A (0.65) PTAFRNOTUMALDH1A1HPGD
SCHEMBL507391 0.68 ESR2 (0.42) GRM5

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
EP-1926712-B1 6-SUBSTITUTED 2,3,4,5-TETRAHYDRO-1H-BENZO[D]AZEPINES AS 5-HT2C RECEPTOR AGONISTS LILLY CO ELI (US) 2009-07-29 EP disclosed