SCHEMBL8107761

SCHEMBL8107761

Clc1ccc(CC(CCOCCC(Cc2ccc(Cl)cc2)c2c[nH]cn2)c2c[nH]cn2)cc1

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 2/20 0.34
SLC6A2 P23975 2/20 0.33
SLC6A3 Q01959 2/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
CHRM2 P08172 1/20 0.30
ADRA2C P18825 1/20 0.30
HRH1 P35367 1/20 0.30
KCNH2 Q12809 1/20 0.30
CACNA1C Q13936 1/20 0.30
SCN5A Q14524 1/20 0.30
HRH3 Q9Y5N1 1/20 0.30
PPARG P37231 1/20 0.30
PPARA Q07869 1/20 0.30

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
SCHEMBL8105910 0.86 HRH4 (0.32) HRH3
SCHEMBL650315 0.85 SLC6A2 (0.39) SLC6A4SLC6A2SLC6A3CHRM2ADRA2C
SCHEMBL8115062 0.82 CYP2C9 (0.35) SLC6A4MEN1KMT2APPARGPPARA
SCHEMBL6782410 0.81 SLC6A4 (0.41) SLC6A4SLC6A2SLC6A3MEN1KMT2A
SCHEMBL4382489 0.74
SCHEMBL4381064 0.74 S1PR4 (0.36)
SCHEMBL1991386 0.73 SLC6A2 (0.38) SLC6A4SLC6A2SLC6A3CHRM2HRH1
SCHEMBL650314 0.72 ESR1 (0.33) SLC6A4SLC6A2SLC6A3MEN1KMT2A
SCHEMBL8114781 0.72 CYP19A1 (0.39) SLC6A4SLC6A2SLC6A3MEN1KMT2A
SCHEMBL8115135 0.72 HMOX1 (0.32)

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 6 patents. 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
EP-0597088-A1 NOVEL IMIDAZOLE DERIVATIVES, THEIR PREPARATION AND THERAPEUTIC APPLICATIONS INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (INSERM) (FR) 1994-05-18 EP claimed
WO-1993014070-A2 NOVEL IMIDAZOLE DERIVATIVES, THEIR PREPARATION AND THERAPEUTIC APPLICATIONS INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (FR) 1993-07-22 WO claimed
EP-0597088-B1 NOVEL IMIDAZOLE DERIVATIVES, THEIR PREPARATION AND THERAPEUTIC APPLICATIONS INST NAT SANTE RECH MED (FR) 2000-12-06 EP disclosed
EP-0597088-A1 NOVEL IMIDAZOLE DERIVATIVES, THEIR PREPARATION AND THERAPEUTIC APPLICATIONS INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (INSERM) (FR) 1994-05-18 EP disclosed
WO-1993014070-A2 NOVEL IMIDAZOLE DERIVATIVES, THEIR PREPARATION AND THERAPEUTIC APPLICATIONS INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (FR) 1993-07-22 WO disclosed