SCHEMBL8414291

SCHEMBL8414291

COC(=O)CC1CCc2c(cccc2OC2CCCCO2)C1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.43
CHRM1 P11229 1/20 0.43
CHRM3 P20309 1/20 0.43
PTGIR P43119 10/20 0.43
MTNR1A P48039 1/20 0.42
MTNR1B P49286 1/20 0.42
CA1 P00915 2/20 0.40
CA2 P00918 2/20 0.40
ACHE P22303 2/20 0.40
CYP19A1 P11511 1/20 0.40
DRD2 P14416 4/20 0.38
DRD4 P21917 3/20 0.38
DRD3 P35462 3/20 0.38

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
SCHEMBL8410528 0.88 PTGIR (0.48) CHRM2CHRM1CHRM3PTGIR
SCHEMBL8410725 0.82 CHRM2 (0.61) CHRM2CHRM1CHRM3MTNR1AMTNR1B
SCHEMBL8414362 0.81 PTGIR (0.44) PTGIR
SCHEMBL8410529 0.78 MTNR1A (0.41) CHRM2CHRM1CHRM3PTGIRMTNR1A
SCHEMBL8410457 0.76 CA1 (0.52) CHRM2CHRM1CHRM3PTGIRCA1
SCHEMBL12634890 0.74 CHRM2 (0.60) CHRM2CHRM1CHRM3MTNR1AMTNR1B
SCHEMBL8347578 0.73 HPGD (0.49) ACHE
SCHEMBL27248291 0.73 BCL2L1 (0.39) DRD2DRD3
SCHEMBL8414360 0.73 SLC6A3 (0.43) PTGIRMTNR1AMTNR1BCA1CA2
SCHEMBL8576525 0.73 PTGIR (0.62) 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