SCHEMBL10367376

SCHEMBL10367376

c1ccc2c(c1)CC(CC1CCCCC1)O2

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.43
HPGD P15428 1/20 0.40
TSHR P16473 1/20 0.40
CA2 P00918 2/20 0.38
HTR1A P08908 3/20 0.38
SIGMAR1 Q99720 2/20 0.38
HTR1D P28221 1/20 0.38
AOC2 O75106 5/20 0.37
MAOA P21397 5/20 0.37
MAOB P27338 5/20 0.37
CHRM2 P08172 2/20 0.37
CHRM4 P08173 2/20 0.37
CHRM5 P08912 2/20 0.37
CHRM1 P11229 2/20 0.37
CHRM3 P20309 2/20 0.37
DAO P14920 1/20 0.37
ADRA2A P08913 1/20 0.37
ADRA2B P18089 1/20 0.37
ADRA2C P18825 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
SCHEMBL20138526 0.85 CA2 (0.50) CA2HTR1ASIGMAR1HTR1DADRA2A
SCHEMBL7342438 0.78 DRD1 (0.30)
SCHEMBL7343070 0.76 DRD1 (0.31)
SCHEMBL13079436 0.74 HSD11B1 (0.54) HRH3HPGDTSHRHTR1A
SCHEMBL9935891 0.73 HRH3 (0.49) HRH3HPGDTSHRCA2HTR1A
SCHEMBL10736602 0.73 HRH3 (0.49) HRH3HPGDTSHRCA2HTR1A
SCHEMBL17193879 0.73 HRH3 (0.49) HRH3HPGDTSHRCA2HTR1A
SCHEMBL434338 0.73 HRH3 (0.49) HRH3CA2AOC2MAOAMAOB
SCHEMBL4231394 0.73 HRH3 (0.49) HRH3HPGDTSHRCA2HTR1A
SCHEMBL4526675 0.73 HRH3 (0.49) HRH3HPGDTSHRCA2HTR1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0207605-B1 HYPOGLYCEMIC THIAZOLIDINEDIONES PFIZER INC. (US) 1990-02-07 EP disclosed
US-4703052-A Hypoglycemic thiazolidinediones PFIZER INC. (US) 1987-10-27 US disclosed
EP-0207605-A1 Hypoglycemic thiazolidinediones PFIZER INC. (US) 1987-01-07 EP disclosed
WO-1986007056-A1 HYPOGLYCEMIC THIAZOLIDINEDIONES PFIZER INC. (US) 1986-12-04 WO disclosed