SCHEMBL9568088

SCHEMBL9568088

CCCN(CC1CCc2ccccc2C1)C(=O)CN(Cc1ccccc1)c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.40
NPSR1 Q6W5P4 1/20 0.39
HTR1A P08908 3/20 0.39
GHSR Q92847 1/20 0.39
SIGMAR1 Q99720 2/20 0.38
TSPO P30536 1/20 0.38
NAMPT P43490 1/20 0.37
CNR2 P34972 1/20 0.37
DRD2 P14416 1/20 0.37
TSHR P16473 1/20 0.36
CYP19A1 P11511 1/20 0.36
MCHR1 Q99705 1/20 0.36
MTNR1A P48039 1/20 0.36
MTNR1B P49286 1/20 0.36
OPRD1 P41143 1/20 0.36

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
SCHEMBL9568175 0.91 OPRM1 (0.39) OPRM1HTR1AGHSRSIGMAR1TSPO
SCHEMBL9050455 0.86 DRD2 (0.39) OPRM1NPSR1DRD2TSHR
SCHEMBL9567995 0.85 MCHR1 (0.40) HTR1AGHSRSIGMAR1TSHRCYP19A1
SCHEMBL9046065 0.78 DRD2 (0.38) OPRM1DRD2TSHR
SCHEMBL8858418 0.76 PTGIR (0.53) DRD2
SCHEMBL9050737 0.73 NPSR1 (0.37) NPSR1HTR1ADRD2TSHR
SCHEMBL9047644 0.72 PTGIR (0.36) DRD2TSHR
SCHEMBL2840174 0.71 MEN1 (0.50) NPSR1SIGMAR1TSHR
SCHEMBL9050742 0.71 PTGIR (0.58)
SCHEMBL9050740 0.70 PTGIR (0.42) NPSR1DRD2

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-A2 Fused benzeneoxyacetic acid derivatives as PGl2 receptor agonists ONO PHARMACEUTICAL CO., LTD. (JP) 1993-05-19 EP claimed