SCHEMBL28978069

SCHEMBL28978069

CCC(CN)Cc1cccc(OC)c1

nearest known ligand 0.63

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ TAAR1 Q96RJ0 3/20 0.63
▸ IDO1 P14902 2/20 0.51
▸ AGXT P21549 2/20 0.51
▸ MAOB P27338 3/20 0.49
▸ AOC3 Q16853 1/20 0.46
▸ CHRM2 P08172 2/20 0.45
▸ CHRM1 P11229 1/20 0.45
▸ CHRM3 P20309 1/20 0.45
▸ CMA1 P23946 1/20 0.44
▸ CYP1A2 P05177 1/20 0.43

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
SCHEMBL4990939 0.81 PPARA (0.53) TAAR1CYP1A2
SCHEMBL4572890 0.80 TAAR1 (0.72) TAAR1IDO1AGXTMAOBAOC3
SCHEMBL13349231 0.80 TAAR1 (0.72) TAAR1IDO1AGXTMAOBAOC3
SCHEMBL30762190 0.80 TAAR1 (0.72) TAAR1IDO1AGXTMAOBAOC3
SCHEMBL9781361 0.80 TAAR1 (0.72) TAAR1IDO1AGXTMAOBAOC3
SCHEMBL10371043 0.79 TAAR1 (0.65) TAAR1IDO1AGXTMAOBAOC3
SCHEMBL13006639 0.78 TAAR1 (0.69) TAAR1IDO1AGXTMAOBAOC3
(S)-M-Methoxyamphetamine SCHEMBL3293027 0.78 TAAR1 (1.00) TAAR1IDO1AGXT
(S)-M-Methoxyamphetamine SCHEMBL30813013 0.78 TAAR1 (1.00) TAAR1IDO1AGXT
(S)-M-Methoxyamphetamine SCHEMBL11461072 0.78 TAAR1 (1.00) TAAR1IDO1AGXT

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-115724891-A Manganese complex Mn-L and preparation method and application thereof 浙江工业大学 2023-03-03 — — CN disclosed
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