SCHEMBL16507870

SCHEMBL16507870

Nc1cc(F)c(CCc2ccc(F)cc2)c(F)c1

nearest known ligand 0.54

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ TAAR1 Q96RJ0 3/20 0.54
▸ MAOB P27338 6/20 0.47
▸ GFER P55789 1/20 0.44
▸ PTGS1 P23219 1/20 0.43
▸ PTGS2 P35354 1/20 0.43
▸ LOXL2 Q9Y4K0 1/20 0.41
▸ AOC3 Q16853 1/20 0.41
▸ MAOA P21397 2/20 0.39
▸ DAO P14920 1/20 0.39
▸ CYP19A1 P11511 1/20 0.38

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
SCHEMBL13758676 0.82 TAAR1 (0.45) TAAR1MAOBLOXL2DAO
SCHEMBL3364178 0.78 GFER (0.74) TAAR1MAOBGFERLOXL2AOC3
SCHEMBL22504236 0.77 TAAR1 (0.46) TAAR1GFERPTGS1PTGS2DAO
SCHEMBL7437052 0.75 TAAR1 (0.68) TAAR1MAOBGFERPTGS1PTGS2
SCHEMBL19877367 0.74 LOXL2 (0.51) LOXL2
SCHEMBL21653730 0.74 CYP19A1 (0.36) TAAR1GFERPTGS1PTGS2CYP19A1
SCHEMBL13577064 0.73 TAAR1 (0.56) TAAR1MAOBGFERPTGS1PTGS2
SCHEMBL20495035 0.72 CYP19A1 (0.74) TAAR1MAOBGFERPTGS1PTGS2
SCHEMBL1319643 0.72 TAAR1 (0.73) TAAR1MAOBLOXL2AOC3MAOA
SCHEMBL5414 0.71 TAAR1 (1.00) TAAR1MAOBLOXL2AOC3

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
EP-2436676-A1 Human adam-10 inhibitors Symphony Evolution, Inc. (US) 2012-04-04 — — EP disclosed
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