SCHEMBL8105600

SCHEMBL8105600

c1ccc(CCCC(CCc2c[nH]cn2)OC(CCCc2ccccc2)CCc2c[nH]cn2)cc1

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 2/20 0.36
HRH3 Q9Y5N1 1/20 0.36
IDO1 P14902 2/20 0.35
HPGD P15428 1/20 0.33
SIGMAR1 Q99720 1/20 0.33
PPARG P37231 1/20 0.33
PPARA Q07869 1/20 0.33
GRIK1 P39086 1/20 0.33
DRD2 P14416 1/20 0.33
DRD4 P21917 1/20 0.33
DRD3 P35462 1/20 0.33

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
SCHEMBL8116500 0.96 HRH3 (0.38) CYP19A1HRH3IDO1
SCHEMBL4382430 0.89 CTSK (0.33)
SCHEMBL650316 0.86 PPARG (0.38) HRH3SIGMAR1PPARGPPARADRD4
SCHEMBL8114784 0.86 CYP19A1 (0.41) CYP19A1SIGMAR1DRD2DRD4DRD3
SCHEMBL8118972 0.86 HMOX1 (0.34) SIGMAR1
SCHEMBL8114437 0.83 CYP19A1 (0.34) CYP19A1HRH3IDO1HPGDSIGMAR1
SCHEMBL8794072 0.83 SIGMAR1 (0.41) SIGMAR1
SCHEMBL10743482 0.82 HTR2A (0.42) HRH3HPGDSIGMAR1
SCHEMBL7971454 0.82 TRPA1 (0.40) CYP19A1HRH3GRIK1
SCHEMBL4376567 0.82 LMNA (0.34) HRH3

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-0597088-B1 NOVEL IMIDAZOLE DERIVATIVES, THEIR PREPARATION AND THERAPEUTIC APPLICATIONS INST NAT SANTE RECH MED (FR) 2000-12-06 EP claimed