SCHEMBL9048623

SCHEMBL9048623

O=C(CO)Oc1cccc2c1CCCC2C(=O)NCCC(c1ccccc1)c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 1/20 0.49
EPHX2 P34913 3/20 0.40
PTGIR P43119 3/20 0.39
CNR1 P21554 2/20 0.39
NR1H3 Q13133 1/20 0.39
MTNR1A P48039 1/20 0.39
MTNR1B P49286 1/20 0.39
CNR2 P34972 1/20 0.38
FKBP1A P62942 1/20 0.38
CASR P41180 1/20 0.37

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
SCHEMBL9048139 0.91 DRD4 (0.47) DRD4PTGIRNR1H3
SCHEMBL9048631 0.87 PTGIR (0.54) DRD4PTGIR
SCHEMBL9427064 0.84 LMNA (0.45) DRD4PTGIRNR1H3
SCHEMBL9046170 0.82 PTGIR (0.44) DRD4PTGIRNR1H3
SCHEMBL9048617 0.81 DRD4 (0.42) DRD4EPHX2CNR1MTNR1AMTNR1B
SCHEMBL9048933 0.79 PTGIR (0.52) DRD4PTGIRNR1H3
SCHEMBL9568169 0.79 PRMT5 (0.52) EPHX2CNR1MTNR1AMTNR1BCNR2
SCHEMBL9051667 0.78 PTGIR (0.44) DRD4PTGIR
SCHEMBL8858437 0.77 PTGIR (0.56) DRD4PTGIR
SCHEMBL9050478 0.77 PTGIR (0.39) DRD4PTGIR

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