SCHEMBL9781361

SCHEMBL9781361

COc1cccc(CC(C)CN)c1

nearest known ligand 0.72

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ TAAR1 Q96RJ0 3/20 0.72
▸ IDO1 P14902 2/20 0.54
▸ AGXT P21549 2/20 0.54
▸ MAOB P27338 3/20 0.51
▸ AOC3 Q16853 1/20 0.49
▸ CHRM2 P08172 2/20 0.47
▸ CHRM1 P11229 1/20 0.47
▸ CHRM3 P20309 1/20 0.47
▸ CMA1 P23946 1/20 0.46
▸ ADRB2 P07550 1/20 0.46

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
SCHEMBL13006639 0.84 TAAR1 (0.69) TAAR1IDO1AGXTMAOBAOC3
(S)-M-Methoxyamphetamine SCHEMBL11461072 0.84 TAAR1 (1.00) TAAR1IDO1AGXT
(S)-M-Methoxyamphetamine SCHEMBL269071 0.84 TAAR1 (1.00) TAAR1IDO1AGXT
(S)-M-Methoxyamphetamine SCHEMBL30813013 0.84 TAAR1 (1.00) TAAR1IDO1AGXT
(S)-M-Methoxyamphetamine SCHEMBL3293027 0.84 TAAR1 (1.00) TAAR1IDO1AGXT
SCHEMBL24925835 0.83 TAAR1 (0.67) TAAR1IDO1AGXTCHRM2CHRM1
SCHEMBL8592674 0.83 TAAR1 (0.67) TAAR1IDO1AGXTCHRM2CHRM1
SCHEMBL4572890 0.83 TAAR1 (0.72) TAAR1IDO1AGXTMAOBAOC3
SCHEMBL30762190 0.83 TAAR1 (0.72) TAAR1IDO1AGXTMAOBAOC3
(S)-M-Methoxyamphetamine SCHEMBL30559562 0.82 TAAR1 (0.96) 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107501241-A Compound, the pharmaceutical composition containing it and their purposes in proliferative disease is treated 梅制药公司 2017-12-22 — — CN disclosed
US-5028256-A Metolachlor and an acylamide compound, for maize or sorghum CIBA-GEIGY CORPORATION (US) 1991-07-02 — — US disclosed
US-4897109-A ACYLAMINE DERIVATIVE CIBA-GEIGY CORPORATION (US) 1990-01-30 — — US disclosed
EP-0163607-B1 MEANS FOR THE PROTECTION OF CULTURE PLANTS AGAINST THE PHYTOTOXIC ACTION OF CHLORACETANILIDE HERBICIDES CIBA-GEIGY AG (CH) 1989-11-08 — — EP disclosed
EP-0163607-A2 Means for the protection of culture plants against the phytotoxic action of chloracetanilide herbicides CIBA-GEIGY AG (CH) 1985-12-04 — — EP disclosed
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