SCHEMBL10524488

SCHEMBL10524488

COc1ccc2c(c1)c(CC(=O)OC(CN1CCN(CCCCCCCCCCOC3CCCCO3)CC1)c1ccccc1)c(C)n2C(=O)c1ccc(Cl)cc1

nearest known ligand 0.54

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ PTGS2 P35354 18/20 0.54
▸ CNR2 P34972 2/20 0.49
▸ CNR1 P21554 1/20 0.49
▸ AKR1C3 P42330 1/20 0.49

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 0.91 PTGS2 (0.57) PTGS2CNR2CNR1AKR1C3
SCHEMBL10526302 0.91 PTGS2 (0.57) PTGS2CNR2CNR1AKR1C3
SCHEMBL10526127 0.87 PTGS2 (0.60) PTGS2CNR2AKR1C3
SCHEMBL10526172 0.86 PTGS2 (0.62) PTGS2CNR2AKR1C3
SCHEMBL10816176 0.85 PTGS2 (0.60) PTGS2CNR2CNR1AKR1C3
SCHEMBL10525264 0.84 PTGS2 (0.56) PTGS2CNR2CNR1AKR1C3
SCHEMBL10527799 0.84 PTGS2 (0.64) PTGS2CNR2AKR1C3
SCHEMBL10523837 0.83 PTGS2 (0.59) PTGS2CNR2CNR1AKR1C3
SCHEMBL10817893 0.81 LMNA (0.49) PTGS2
SCHEMBL10526684 0.77 PTGS2 (0.67) PTGS2CNR2AKR1C3

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0188803-B1 PIPERAZINE DERIVATIVE TAIHO PHARMACEUTICAL COMPANY, LIMITED (JP) 1989-06-07 — — EP disclosed
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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