SCHEMBL10816176

SCHEMBL10816176

COc1ccc2c(c1)c(CC(=O)OCC(C)N1CCN(CCCCCOC3CCCCO3)CC1)c(C)n2C(=O)c1ccc(Cl)cc1

nearest known ligand 0.60

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ PTGS2 P35354 17/20 0.60
▸ CNR2 P34972 2/20 0.51
▸ HTR1A P08908 1/20 0.51
▸ PKM P14618 1/20 0.51
▸ PTGS1 P23219 1/20 0.51
▸ GLO1 Q04760 1/20 0.51
▸ HIF1A Q16665 1/20 0.51
▸ CNR1 P21554 1/20 0.51
▸ AKR1C3 P42330 1/20 0.51

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
SCHEMBL10524213 0.89 PTGS2 (0.57) PTGS2CNR2PKMCNR1AKR1C3
SCHEMBL10526302 0.89 PTGS2 (0.57) PTGS2CNR2PKMCNR1AKR1C3
SCHEMBL10524488 0.85 PTGS2 (0.54) PTGS2CNR2CNR1AKR1C3
SCHEMBL10817893 0.79 LMNA (0.49) PTGS2PKMHIF1A
SCHEMBL10816172 0.75 P2RX3 (0.37) PTGS2CNR2HTR1ACNR1
SCHEMBL11159263 0.74 PTGS2 (0.80) PTGS2CNR2HTR1APKMPTGS1
SCHEMBL10526684 0.74 PTGS2 (0.67) PTGS2CNR2PTGS1GLO1HIF1A
SCHEMBL10525346 0.74 PTGS2 (0.67) PTGS2CNR2PTGS1GLO1HIF1A
SCHEMBL8031505 0.73 PTGS2 (0.79) PTGS2CNR2HTR1APKMPTGS1
SCHEMBL10880869 0.73 PTGS2 (0.62) PTGS2CNR2PTGS1GLO1HIF1A

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
US-4696929-A Derivative of piperazine having anti-allergic and anti-inflammatory action TAIHO PHARMACEUTICAL COMPANY, LIMITED (JP) 1987-09-29 — — US disclosed
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