SCHEMBL8411465

SCHEMBL8411465

Oc1cccc2c1CCC(Cc1cc(C(c3ccccc3)c3ccccc3)on1)C2

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 2/20 0.52
DRD2 P14416 9/20 0.40
DRD3 P35462 6/20 0.40
DRD4 P21917 5/20 0.40
PTGIR P43119 5/20 0.39
DRD1 P21728 4/20 0.37
HTR1A P08908 1/20 0.37
DRD5 P21918 1/20 0.37
HTR7 P34969 1/20 0.37
ADRB2 P07550 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
TSHR P16473 1/20 0.37
NFKB1 P19838 1/20 0.37
THPO P40225 1/20 0.37
CA1 P00915 2/20 0.37
CA2 P00918 2/20 0.37
ACHE P22303 2/20 0.37
LMNA P02545 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
SCHEMBL8414330 0.83 CYP19A1 (0.50) CYP19A1DRD2DRD3DRD4PTGIR
SCHEMBL8411141 0.82 PTGIR (0.46) CYP19A1PTGIR
SCHEMBL8411139 0.82 PTGIR (0.61) PTGIR
SCHEMBL8414457 0.81 CYP19A1 (0.50) CYP19A1DRD2DRD3DRD4PTGIR
SCHEMBL8410999 0.79 CYP19A1 (0.50) CYP19A1DRD2DRD3DRD4PTGIR
SCHEMBL8410751 0.77 CYP19A1 (0.50) CYP19A1DRD2DRD3DRD4PTGIR
SCHEMBL7772431 0.69 PTGIR (0.73) CYP19A1PTGIR
SCHEMBL7777367 0.69 PTGIR (0.73) CYP19A1PTGIR
SCHEMBL9005688 0.68 CYP19A1 (0.62) CYP19A1DRD2DRD3DRD4DRD1
SCHEMBL7776686 0.67 DRD2 (0.63) CYP19A1DRD2DRD3DRD4DRD1

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