SCHEMBL9047644

SCHEMBL9047644

CN(CC1CCc2c(cccc2C(=O)C(=O)O)C1)C(=O)CN(Cc1ccccc1)c1ccccc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGIR P43119 5/20 0.36
MAPK1 P28482 1/20 0.34
DRD2 P14416 6/20 0.33
DRD3 P35462 2/20 0.33
SLC6A2 P23975 1/20 0.33
SLC6A4 P31645 1/20 0.33
SLC6A3 Q01959 1/20 0.33
DRD1 P21728 3/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
TSHR P16473 1/20 0.33
NFKB1 P19838 1/20 0.33
THPO P40225 1/20 0.33
DRD4 P21917 1/20 0.33
CRHBP P24387 1/20 0.33
CRHR2 Q13324 1/20 0.33
KMT2A Q03164 1/20 0.33
LMNA P02545 1/20 0.32
PMP22 Q01453 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
SCHEMBL9050455 0.88 DRD2 (0.39) DRD2DRD3DRD1CYP1A2CYP3A4
SCHEMBL9050993 0.88 PTGIR (0.39) PTGIR
SCHEMBL9567995 0.85 MCHR1 (0.40) MAPK1TSHRALDH1A1POLBSMN1; SMN2
SCHEMBL9046065 0.83 DRD2 (0.38) DRD2DRD3DRD1CYP1A2CYP3A4
SCHEMBL8858485 0.83 PTGIR (0.57) PTGIR
SCHEMBL9049469 0.78 PTGIR (0.38) PTGIRDRD2DRD3DRD1CYP1A2
SCHEMBL9427171 0.75 PTGIR (0.39) PTGIRDRD2DRD3SLC6A4CYP1A2
SCHEMBL9050737 0.75 NPSR1 (0.37) PTGIRDRD2DRD3DRD1CYP1A2
SCHEMBL9049412 0.74 ALDH1A1 (0.39) PTGIRKMT2AALDH1A1
SCHEMBL9048870 0.73 ALDH1A1 (0.40) PTGIRKMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0542203-B1 Fused benzeneoxyacetic acid derivatives as PGl2 receptor agonists ONO PHARMACEUTICAL CO (JP) 1996-07-03 EP claimed
EP-0542203-B1 Fused benzeneoxyacetic acid derivatives as PGl2 receptor agonists ONO PHARMACEUTICAL CO (JP) 1996-07-03 EP disclosed
US-5344836-A Fused benzeneoxyacetic acid derivatives ONO PHARMACEUTICAL CO., LTD. (JP) 1994-09-06 US disclosed