SCHEMBL28321776

SCHEMBL28321776

FC(F)(F)c1ccnc(OCc2cccc(-c3c[nH]nn3)c2)c1

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ MRGPRX4 Q96LA9 7/20 0.45
▸ AGXT P21549 1/20 0.39
▸ MAOB P27338 4/20 0.38
▸ IDO1 P14902 2/20 0.37
▸ HTR6 P50406 1/20 0.37
▸ SLC2A1 P11166 1/20 0.37
▸ FFAR1 O14842 1/20 0.36
▸ NR4A2 P43354 1/20 0.36
▸ KMO O15229 1/20 0.36
▸ GPR55 Q9Y2T6 1/20 0.35

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
SCHEMBL28320546 0.84 MRGPRX4 (0.56) MRGPRX4AGXTMAOBSLC2A1FFAR1
SCHEMBL28876729 0.82 MRGPRX4 (0.44) MRGPRX4AGXTMAOBFFAR1NR4A2
SCHEMBL28320555 0.81 MRGPRX4 (0.67) MRGPRX4IDO1
SCHEMBL28320601 0.79 MRGPRX4 (0.46) MRGPRX4AGXTMAOBIDO1HTR6
SCHEMBL16399630 0.78 MRGPRX4 (0.40) MRGPRX4AGXTMAOBIDO1HTR6
SCHEMBL5612780 0.77 IDO1 (0.54) MAOBIDO1KMO
SCHEMBL17969166 0.77 MRGPRX4 (0.39) MRGPRX4AGXTMAOBFFAR1
SCHEMBL17969176 0.73 MRGPRX4 (0.43) MRGPRX4AGXTFFAR1
SCHEMBL16399492 0.72 POLB (0.47) MRGPRX4MAOBIDO1NR4A2
SCHEMBL29624481 0.72 NOS3 (0.44) KMO

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
CN-105408325-B cyanotriazole compounds 大塚制药株式会社 2019-10-22 — — CN disclosed
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