SCHEMBL28280503

SCHEMBL28280503

CC(O)C(N)(C(=O)OCc1cccc2c1Cc1ccccc1-2)c1ccc(O)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PNMT P11086 1/20 0.42
▸ NPC1 O15118 3/20 0.36
▸ RAB9A P51151 3/20 0.36
▸ HTR7 P34969 1/20 0.34
▸ HTR2B P41595 1/20 0.34
▸ CYP1A2 P05177 1/20 0.33
▸ CYP2D6 P10635 1/20 0.33
▸ CHRM2 P08172 1/20 0.32
▸ CHRM4 P08173 1/20 0.32
▸ CHRM1 P11229 1/20 0.32
▸ CHRM3 P20309 1/20 0.32
▸ GABRP O00591 1/20 0.32
▸ GABRD O14764 1/20 0.32
▸ GABRA1 P14867 1/20 0.32
▸ GABRB1 P18505 1/20 0.32
▸ GABRG2 P18507 1/20 0.32
▸ GABRB3 P28472 1/20 0.32
▸ GABRA5 P31644 1/20 0.32
▸ GABRA3 P34903 1/20 0.32
▸ GABRA2 P47869 1/20 0.32

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
SCHEMBL31632597 0.83 PNMT (0.44) PNMTNPC1RAB9AHTR7HTR2B
SCHEMBL28918336 0.82 PNMT (0.43) PNMTNPC1RAB9AHTR7HTR2B
SCHEMBL31632596 0.82 PNMT (0.43) PNMTNPC1RAB9AHTR7HTR2B
SCHEMBL27960452 0.80 PNMT (0.45) PNMTNPC1RAB9AHTR7HTR2B
SCHEMBL28463245 0.79 PNMT (0.51) PNMTNPC1RAB9AHTR7HTR2B
SCHEMBL28437819 0.78 PNMT (0.48) PNMTNPC1RAB9AHTR7HTR2B
SCHEMBL7037299 0.77 PNMT (0.52) PNMTNPC1RAB9AHTR7HTR2B
SCHEMBL31403130 0.77 PNMT (0.42) PNMTNPC1RAB9AHTR7HTR2B
SCHEMBL7906609 0.76 PNMT (0.50) PNMTNPC1RAB9AHTR7HTR2B
Trifluoroacetic Acid SCHEMBL7518687 0.75 PNMT (0.45) PNMTNPC1RAB9AHTR7HTR2B

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-109593068-A A kind of intermediate and preparation method thereof of ROR gamma inhibitors 广东东阳光药业有限公司 2019-04-09 — — CN disclosed
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