SCHEMBL8414285

SCHEMBL8414285

CC(=O)OOc1cccc2c1CCC(CO)C2

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 1/20 0.46
MTNR1B P49286 1/20 0.46
CHRM2 P08172 1/20 0.46
CHRM1 P11229 1/20 0.46
CHRM3 P20309 1/20 0.46
PTGIR P43119 14/20 0.44
CYP19A1 P11511 1/20 0.44
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
ACHE P22303 1/20 0.42
DRD2 P14416 1/20 0.41
DRD3 P35462 1/20 0.41
SIGMAR1 Q99720 1/20 0.40

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
SCHEMBL8812817 0.90 PTGIR (0.46) MTNR1AMTNR1BCHRM2CHRM1CHRM3
SCHEMBL8414321 0.89 MTNR1A (0.45) MTNR1AMTNR1BCHRM2CHRM1CHRM3
SCHEMBL8414288 0.87 MTNR1A (0.48) MTNR1AMTNR1BCHRM2CHRM1CHRM3
SCHEMBL8811674 0.84 PTGIR (0.46) MTNR1AMTNR1BCHRM2CHRM1CHRM3
SCHEMBL9017300 0.82 DRD2 (0.63) MTNR1AMTNR1BCHRM2CHRM1CHRM3
SCHEMBL7777377 0.81 CYP19A1 (0.64) MTNR1AMTNR1BCHRM2CHRM1CHRM3
SCHEMBL8808898 0.80 PTGIR (0.54) MTNR1AMTNR1BCHRM2CHRM1CHRM3
SCHEMBL8808903 0.80 PTGIR (0.54) MTNR1AMTNR1BCHRM2CHRM1CHRM3
SCHEMBL9048569 0.79 PTGIR (0.47) MTNR1AMTNR1BCHRM2CHRM1CHRM3
SCHEMBL8414260 0.78 PTGIR (0.65) PTGIR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5962439-A CARDIOVASCULAR DISORDER ONO PHARMACEUTICAL CO., LTD. (JP) 1999-10-05 US disclosed
US-5849919-A Fused benzeneoxyacetic acid derivatives which have PGI2 receptor anonist activity ONO PHARMACEUTICAL CO., LTD. (JP) 1998-12-15 US disclosed
EP-0548949-B1 Fused benzeneoxyacetic acid derivatives ONO PHARMACEUTICAL CO (JP) 1997-09-17 EP disclosed
US-5589496-A Fused benzeneoxyacetic acid derivatives which have PGI2 receptor agonist activity ONO PHARMACEUTICAL CO., LTD. (JP) 1996-12-31 US disclosed
US-5389666-A Administering for treatment and prevention of thrombosis, arteriosclerosis, ischemic heart diseases, gastric ulcer or hypertension ONO PHARMACEUTICAL CO., LTD. (JP) 1995-02-14 US disclosed
EP-0548949-A2 Fused benzeneoxyacetic acid derivatives ONO PHARMACEUTICAL CO., LTD. (JP) 1993-06-30 EP disclosed