SCHEMBL8107511

SCHEMBL8107511

O=C(Cc1ccc(I)cc1)OCCCc1c[nH]cn1

nearest known ligand 0.60

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 2/20 0.46
HRH3 Q9Y5N1 2/20 0.46
TSHR P16473 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
YWHAG P61981 1/20 0.35
TBXAS1 P24557 1/20 0.34
CYP19A1 P11511 1/20 0.34
ALDH1A1 P00352 1/20 0.33
GAA P10253 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
SCHEMBL8104619 0.89 HRH4 (0.54) HRH4HRH3ALDH1A1
SCHEMBL8119181 0.88 HRH4 (0.61) HRH4HRH3ALDH1A1
SCHEMBL8119207 0.82 TDP1 (0.40) HRH4HRH3TSHRALDH1A1
SCHEMBL7974587 0.80 NPC1 (0.46) TSHR
Iodoproxyfan SCHEMBL3089477 0.78 HRH3 (0.56) HRH4HRH3
SCHEMBL4378557 0.77 POLB (0.42) HRH3L3MBTL1ALDH1A1
SCHEMBL6971280 0.77 L3MBTL1 (0.44) HRH4HRH3TSHRL3MBTL1YWHAG
SCHEMBL5157531 0.76 NAAA (0.35) HRH4HRH3
Iodoproxyfan SCHEMBL3085830 0.76 HRH3 (0.46) HRH4HRH3
SCHEMBL14027508 0.75 SPHK2 (0.34) 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 3 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-0994862-A2 SULPHONAMIDE DERIVATIVES BEING 5-HT6 RECEPTOR ANTAGONISTS AND PROCESS FOR THEIR PREPARATION SMITHKLINE BEECHAM PLC (GB) 2000-04-26 EP claimed
WO-1999002502-A2 SULPHONAMIDE DERIVATIVES BEING 5-HT6 RECEPTOR ANTAGONISTS AND PROCESS FOR THEIR PREPARATION SMITHKLINE BEECHAM PLC (GB) 1999-01-21 WO claimed