SCHEMBL7397494

SCHEMBL7397494

O=C(NCC1CC1C(=O)O)c1cccc(Cl)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 1/20 0.54
GAA P10253 1/20 0.51
OPRM1 P35372 1/20 0.50
OPRD1 P41143 1/20 0.50
OPRK1 P41145 1/20 0.50
GRM5 P41594 2/20 0.49
ALDH1A1 P00352 1/20 0.49
KCNH2 Q12809 1/20 0.48
CACNA1I Q9P0X4 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
CACNA1H O95180 1/20 0.47
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
CRHR1 P34998 1/20 0.46
KCNA3 P22001 1/20 0.46
TP53 P04637 1/20 0.46
MCHR1 Q99705 1/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
KCNK3 O14649 1/20 0.46

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
SCHEMBL8025278 0.76 GRM5 (0.59) GAAGRM5ALDH1A1L3MBTL1NPC1
SCHEMBL18942350 0.74 OPRM1 (0.47) P2RX7OPRM1OPRD1OPRK1GRM5
SCHEMBL15967359 0.74 OPRM1 (0.54) P2RX7OPRM1OPRD1OPRK1GRM5
SCHEMBL2984329 0.73 KMT2A (0.60) P2RX7ALDH1A1MEN1KMT2AKCNK3
Hydrochloric Acid SCHEMBL708457 0.73 OPRM1 (0.53) P2RX7OPRM1OPRD1OPRK1GRM5
SCHEMBL17730182 0.73 CRHR1 (0.58) P2RX7OPRM1OPRD1OPRK1GRM5
SCHEMBL17730181 0.73 CRHR1 (0.58) P2RX7OPRM1OPRD1OPRK1GRM5
SCHEMBL16506712 0.72 KMO (0.64) GAAGRM5ALDH1A1L3MBTL1NPC1
SCHEMBL8008231 0.72 KMO (0.64) GAAGRM5ALDH1A1L3MBTL1NPC1
SCHEMBL1340964 0.72 OPRM1 (0.52) P2RX7OPRM1OPRD1OPRK1GRM5

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-1189873-A1 EXCITATORY AMINO ACID RECEPTOR MODULATORS Lilly, S.A. (ES) 2002-03-27 EP disclosed
WO-2000075101-A1 EXCITATORY AMINO ACID RECEPTOR MODULATORS LILLY, S.A. (ES) 2000-12-14 WO disclosed