SCHEMBL3835629

SCHEMBL3835629

Fc1cc(OCc2c[nH]c(-c3ncc(COc4ccc5ccoc5c4)[nH]3)n2)ccc1Cl

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ MRGPRX4 Q96LA9 1/20 0.36
▸ FFAR1 O14842 1/20 0.34
▸ PPARD Q03181 1/20 0.34
▸ MAOA P21397 2/20 0.31
▸ MAOB P27338 2/20 0.31
▸ PPARG P37231 1/20 0.31
▸ HRH1 P35367 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
SCHEMBL3835625 0.78 FFAR1 (0.35) MRGPRX4FFAR1PPARDMAOAMAOB
SCHEMBL224619 0.67 MRGPRX4 (0.45) MRGPRX4
SCHEMBL2741621 0.64 ADRA1D (0.42) —
SCHEMBL224383 0.62 HRH3 (0.40) FFAR1MAOAMAOBPPARG
SCHEMBL22396973 0.62 ATF4 (0.63) —
SCHEMBL29828846 0.58 MRGPRX4 (0.69) MRGPRX4FFAR1PPARDMAOAMAOB
SCHEMBL7214701 0.58 MRGPRX4 (0.69) MRGPRX4FFAR1PPARDMAOAMAOB
SCHEMBL30046670 0.58 HRH3 (0.40) MAOAMAOBPPARG
SCHEMBL14359475 0.58 KCNA3 (0.48) MRGPRX4MAOAMAOB
SCHEMBL3839877 0.57 FFAR1 (0.34) FFAR1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2094668-A2 4-IMIDAZOLINES AS TAAR'S LIGANDS F. Hoffmann-Roche AG (CH) 2009-09-02 — — EP claimed
WO-2008074679-A2 4-IMIDAZOLINES AS TAAR'S LIGANDS F. HOFFMANN-LA ROCHE AG (CH) 2008-06-26 — — WO claimed
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