SCHEMBL3835625

SCHEMBL3835625

Fc1cc(OCc2c[nH]cn2)ccc1Cl.c1ncc(COc2ccc3ccoc3c2)[nH]1

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ FFAR1 O14842 1/20 0.35
▸ PPARD Q03181 1/20 0.35
▸ MRGPRX4 Q96LA9 1/20 0.35
▸ PPARG P37231 3/20 0.32
▸ MAOA P21397 1/20 0.31
▸ MAOB P27338 1/20 0.31
▸ ADRA1D P25100 1/20 0.31
▸ ADRA1A P35348 1/20 0.31
▸ ADRA1B P35368 1/20 0.31

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
SCHEMBL224619 0.81 MRGPRX4 (0.45) MRGPRX4ADRA1DADRA1AADRA1B
SCHEMBL2741621 0.79 ADRA1D (0.42) ADRA1DADRA1AADRA1B
SCHEMBL224383 0.78 HRH3 (0.40) FFAR1PPARGMAOAMAOB
SCHEMBL3835629 0.78 MRGPRX4 (0.36) FFAR1PPARDMRGPRX4PPARGMAOA
SCHEMBL2741622 0.69 ADRA1D (0.44) ADRA1DADRA1AADRA1B
SCHEMBL2741620 0.69 TAAR1 (0.47) ADRA1DADRA1AADRA1B
SCHEMBL222298 0.67 FFAR1 (0.43) FFAR1PPARGMAOAMAOB
SCHEMBL222797 0.67 MRGPRX4 (0.43) MRGPRX4MAOAMAOB
SCHEMBL22396973 0.61 ATF4 (0.63) —
SCHEMBL2741624 0.60 SOD1 (0.41) ADRA1DADRA1AADRA1B

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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