SCHEMBL8801465

SCHEMBL8801465

CCCc1cc(OC(C)=O)c(SC)c2[nH]c3ccccc3c12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC22A6 Q4U2R8 1/20 0.40
GABRP O00591 1/20 0.36
GABRD O14764 1/20 0.36
GABRA1 P14867 1/20 0.36
GABRB1 P18505 1/20 0.36
GABRG2 P18507 1/20 0.36
GABRB3 P28472 1/20 0.36
GABRA5 P31644 1/20 0.36
GABRA3 P34903 1/20 0.36
GABRA2 P47869 1/20 0.36
GABRB2 P47870 1/20 0.36
GABRA4 P48169 1/20 0.36
GABRE P78334 1/20 0.36
GABRA6 Q16445 1/20 0.36
GABRG1 Q8N1C3 1/20 0.36
GABRG3 Q99928 1/20 0.36
GABRQ Q9UN88 1/20 0.36
HTT P42858 1/20 0.36
PTGS2 P35354 3/20 0.36
GSK3B P49841 2/20 0.36

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
SCHEMBL9055605 0.89 KDM4E (0.35) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL9055602 0.89 GABRP (0.35) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL8387332 0.85 MAPT (0.41) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL9057701 0.83 HTT (0.49) SLC22A6HTTGSK3BADKTUBB4A
SCHEMBL8391029 0.80 KDM4E (0.40) KDM4EALDH1A1HPGDMAPTSMN1; SMN2
SCHEMBL8803144 0.80 SLC22A6 (0.41) SLC22A6GABRPGABRDGABRA1GABRB1
SCHEMBL8389032 0.80 PPARG (0.42) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL8802131 0.79 SLC22A6 (0.40) SLC22A6GABRA1GABRG2GABRB3HTT
SCHEMBL8803045 0.77 MAPT (0.37) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL8801909 0.75 SLC22A6 (0.48) SLC22A6GABRPGABRDGABRA1GABRB1

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-0804416-A1 HETEROCYCLIC COMPOUNDS, USEFUL AS ALLOSTERIC EFFECTORS AT MUSCARINIC RECEPTORS SANKYO COMPANY LIMITED (JP) 1997-11-05 EP disclosed
WO-1996003377-A1 HETEROCYCLIC COMPOUNDS, USEFUL AS ALLOSTERIC EFFECTORS AT MUSCARINIC RECEPTORS SANKYO COMPANY, LIMITED (JP) 1996-02-08 WO disclosed