SCHEMBL9050455

SCHEMBL9050455

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

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 6/20 0.39
DRD3 P35462 2/20 0.39
NPSR1 Q6W5P4 1/20 0.39
DRD1 P21728 3/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
TSHR P16473 1/20 0.38
NFKB1 P19838 1/20 0.38
THPO P40225 1/20 0.38
DRD4 P21917 1/20 0.38
LMNA P02545 1/20 0.38
PMP22 Q01453 1/20 0.38
OPRM1 P35372 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
SCHEMBL9046065 0.92 DRD2 (0.38) DRD2DRD3DRD1CYP1A2CYP3A4
SCHEMBL9050737 0.88 NPSR1 (0.37) DRD2DRD3NPSR1DRD1CYP1A2
SCHEMBL9047644 0.88 PTGIR (0.36) DRD2DRD3DRD1CYP1A2CYP3A4
SCHEMBL9568088 0.86 OPRM1 (0.40) DRD2NPSR1TSHROPRM1
SCHEMBL9047704 0.80 DRD2 (0.37) DRD2DRD3DRD1CYP1A2CYP3A4
SCHEMBL9568175 0.78 OPRM1 (0.39) DRD2TSHROPRM1
SCHEMBL8858418 0.77 PTGIR (0.53) DRD2
SCHEMBL9050993 0.75 PTGIR (0.39)
SCHEMBL9427171 0.75 PTGIR (0.39) DRD2DRD3NPSR1CYP1A2CYP3A4
SCHEMBL9567995 0.72 MCHR1 (0.40) TSHR

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
EP-0542203-B1 Fused benzeneoxyacetic acid derivatives as PGl2 receptor agonists ONO PHARMACEUTICAL CO (JP) 1996-07-03 EP claimed