SCHEMBL14286071

SCHEMBL14286071

C=C(N)[C@@H](CC(=O)OC)c1ccc(OCc2cccc(-c3ccc(C(F)(F)F)cc3)c2)cc1

nearest known ligand 0.62

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ FFAR1 O14842 11/20 0.62
▸ MRGPRX4 Q96LA9 1/20 0.47
▸ MAOB P27338 1/20 0.46
▸ AGXT P21549 1/20 0.46
▸ PPARD Q03181 3/20 0.45
▸ PPARA Q07869 2/20 0.45
▸ PPARG P37231 1/20 0.45
▸ GPR34 Q9UPC5 1/20 0.45
▸ PSEN1 P49768 1/20 0.44
▸ PSEN2 P49810 1/20 0.44
▸ APH1B Q8WW43 1/20 0.44
▸ NCSTN Q92542 1/20 0.44
▸ APH1A Q96BI3 1/20 0.44
▸ PSENEN Q9NZ42 1/20 0.44
▸ ADAMTS4 O75173 1/20 0.44
▸ MMP13 P45452 1/20 0.44
▸ ADAMTS5 Q9UNA0 1/20 0.44

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
SCHEMBL12021108 0.94 FFAR1 (0.64) FFAR1MRGPRX4MAOBAGXTPPARD
SCHEMBL13318210 0.90 FFAR1 (0.68) FFAR1MRGPRX4PPARDPPARAPPARG
SCHEMBL12020986 0.90 FFAR1 (0.68) FFAR1MRGPRX4PPARDPPARAPPARG
SCHEMBL14286192 0.89 FFAR1 (0.62) FFAR1MRGPRX4MAOBAGXTPPARD
SCHEMBL12021068 0.88 FFAR1 (0.63) FFAR1MRGPRX4MAOBPPARDPPARA
SCHEMBL13318254 0.87 FFAR1 (0.62) FFAR1MRGPRX4MAOBPPARDPPARA
SCHEMBL3520170 0.85 FFAR1 (0.62) FFAR1MRGPRX4MAOBAGXTPPARD
SCHEMBL13318209 0.85 FFAR1 (0.59) FFAR1MRGPRX4MAOBPPARDPPARA
SCHEMBL14286072 0.85 FFAR1 (0.66) FFAR1MRGPRX4MAOBAGXTPPARD
SCHEMBL14980205 0.84 FFAR1 (0.63) FFAR1MRGPRX4MAOBAGXTPPARD

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
WO-2008030618-A1 BENZO-FUSED COMPOUNDS FOR USE IN TREATING METABOLIC DISORDERS AMGEN INC. (US) 2008-03-13 — — WO disclosed
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