SCHEMBL8105910

SCHEMBL8105910

Ic1ccc(CC(CCOCCC(Cc2ccc(I)cc2)c2c[nH]cn2)c2c[nH]cn2)cc1

nearest known ligand 0.35

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 1/20 0.32
HRH3 Q9Y5N1 1/20 0.32
CYP1A2 P05177 1/20 0.30
CYP2D6 P10635 1/20 0.30
APP P05067 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
SCHEMBL8107761 0.86 SLC6A4 (0.34) HRH3
SCHEMBL4382489 0.74
SCHEMBL8115135 0.72 HMOX1 (0.32)
SCHEMBL8114781 0.72 CYP19A1 (0.39) CYP1A2CYP2D6
SCHEMBL650315 0.72 SLC6A2 (0.39) HRH3
SCHEMBL8104990 0.71 HRH3 (0.36) HRH4HRH3
SCHEMBL8114366 0.70 RAD52 (0.30)
SCHEMBL8106289 0.70 FAAH (0.36) HRH4HRH3
SCHEMBL4379169 0.70
SCHEMBL8115062 0.70 CYP2C9 (0.35)

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