SCHEMBL8104619

SCHEMBL8104619

O=C(CCc1ccc(I)cc1)OCCCc1c[nH]cn1

nearest known ligand 0.61

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 1/20 0.54
HRH3 Q9Y5N1 1/20 0.54
TDP1 Q9NUW8 1/20 0.42
APP P05067 2/20 0.37
FFAR1 O14842 1/20 0.36
CYP4F2 P78329 1/20 0.36
CYP4A11 Q02928 1/20 0.36
ALDH1A1 P00352 1/20 0.34

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
SCHEMBL8119181 0.94 HRH4 (0.61) HRH4HRH3TDP1FFAR1CYP4F2
SCHEMBL8107511 0.89 HRH4 (0.46) HRH4HRH3ALDH1A1
SCHEMBL8113271 0.81 TDP1 (0.50) HRH4HRH3TDP1FFAR1ALDH1A1
SCHEMBL8119207 0.81 TDP1 (0.40) HRH4HRH3TDP1ALDH1A1
SCHEMBL7974587 0.79 NPC1 (0.46)
SCHEMBL4378585 0.78 ALDH1A1 (0.53) HRH3FFAR1ALDH1A1
SCHEMBL14027508 0.77 SPHK2 (0.34) HRH4HRH3APP
Iodoproxyfan SCHEMBL3089477 0.77 HRH3 (0.56) HRH4HRH3APP
SCHEMBL18381260 0.77 NPC1 (0.39) HRH4HRH3TDP1ALDH1A1
SCHEMBL5157531 0.75 NAAA (0.35) HRH4HRH3

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