SCHEMBL8414360

SCHEMBL8414360

COC(=O)C(C(=O)C(c1ccccc1)c1ccccc1)C1CCc2c(cccc2OC2CCCCO2)C1

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 4/20 0.43
CA1 P00915 2/20 0.37
CA2 P00918 2/20 0.37
ACHE P22303 2/20 0.37
MTNR1A P48039 2/20 0.36
MTNR1B P49286 2/20 0.36
PTGIR P43119 8/20 0.35
DRD2 P14416 2/20 0.33
HTT P42858 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
DRD4 P21917 1/20 0.33

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
SCHEMBL8414362 0.75 PTGIR (0.44) PTGIR
SCHEMBL8414291 0.73 CHRM2 (0.43) CA1CA2ACHEMTNR1AMTNR1B
SCHEMBL8410529 0.71 MTNR1A (0.41) CA1CA2ACHEMTNR1AMTNR1B
SCHEMBL8410528 0.71 PTGIR (0.48) PTGIR
SCHEMBL11771234 0.68 SLC6A3 (0.48) SLC6A3
SCHEMBL27248291 0.67 BCL2L1 (0.39) DRD2
SCHEMBL1743566 0.67 SLC6A3 (0.61) SLC6A3
SCHEMBL14211627 0.67 SLC6A3 (0.61) SLC6A3
SCHEMBL14233517 0.67 SLC6A3 (0.61) SLC6A3
SCHEMBL8637525 0.66 SLC6A3 (0.60) SLC6A3

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