SCHEMBL7363747

SCHEMBL7363747

O=C(O)C(CCCC(c1ccccc1)c1ccccc1)C1CC1C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 4/20 0.44
GRM3 Q14832 4/20 0.44
CYP1A2 P05177 2/20 0.43
ALDH1A1 P00352 1/20 0.43
HTR2A P28223 1/20 0.39
HRH1 P35367 1/20 0.39
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
TSHR P16473 1/20 0.38
MAPK1 P28482 1/20 0.38
HSD17B10 Q99714 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
GRM8 O00222 1/20 0.38
GRM6 O15303 1/20 0.38
LMNA P02545 1/20 0.38
APEX1 P27695 1/20 0.38
GRM5 P41594 1/20 0.38
PMP22 Q01453 1/20 0.38
GRM1 Q13255 1/20 0.38

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
SCHEMBL7361069 0.91 CYP1A2 (0.45) GRM2GRM3CYP1A2ALDH1A1CYP3A4
SCHEMBL7402157 0.83 CYP1A2 (0.46) GRM2GRM3CYP1A2ALDH1A1CYP3A4
SCHEMBL7398125 0.81 GRM2 (0.48) GRM2GRM3CYP1A2ALDH1A1KMT2A
SCHEMBL5052996 0.78 SLC1A2 (0.44) GRM2GRM3CYP2C9CYP2C19GRM8
SCHEMBL7392222 0.76 SLC1A2 (0.43) GRM2GRM3CYP2C9CYP2C19GRM8
SCHEMBL7364671 0.74 SLC1A2 (0.44) GRM2GRM3MAPK1CYP2C9CYP2C19
SCHEMBL7363860 0.73 PTGER1 (0.42) GRM2GRM3CYP1A2ALDH1A1CYP2C9
SCHEMBL7363028 0.73 SLC6A2 (0.41) GRM2CYP1A2ALDH1A1MEN1KMT2A
SCHEMBL7367030 0.73 PTGER1 (0.42) CYP1A2ALDH1A1MEN1KMT2ATAAR1
SCHEMBL7360984 0.73 GPR84 (0.43) GRM2GRM3CYP2C9CYP2C19GRM8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0771196-A4 EXCITATORY AMINO ACID RECEPTOR ANTAGONISTS LILLY CO ELI (US) 1997-09-03 EP disclosed
EP-0771196-A1 EXCITATORY AMINO ACID RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 1997-05-07 EP disclosed
WO-1996007405-A1 EXCITATORY AMINO ACID RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 1996-03-14 WO disclosed