SCHEMBL8410751

SCHEMBL8410751

Oc1cccc2c1CCC(Cc1nc(C(c3ccccc3)c3ccccc3)co1)C2

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 2/20 0.50
PTGIR P43119 6/20 0.41
DRD2 P14416 9/20 0.39
DRD3 P35462 6/20 0.39
DRD4 P21917 5/20 0.38
DRD1 P21728 4/20 0.36
HTR1A P08908 1/20 0.36
DRD5 P21918 1/20 0.36
HTR7 P34969 1/20 0.36
ADRB2 P07550 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
TSHR P16473 1/20 0.36
NFKB1 P19838 1/20 0.36
THPO P40225 1/20 0.36
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
ACHE P22303 1/20 0.35
LMNA P02545 1/20 0.35

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
SCHEMBL8412758 0.83 PTGIR (0.63) PTGIR
SCHEMBL8412761 0.83 PTGIR (0.48) CYP19A1PTGIR
SCHEMBL8412742 0.82 PTGIR (0.47) CYP19A1PTGIR
SCHEMBL8813423 0.81 PTGIR (0.47) CYP19A1PTGIR
SCHEMBL8414457 0.81 CYP19A1 (0.50) CYP19A1PTGIRDRD2DRD3DRD4
SCHEMBL8412740 0.80 PTGIR (0.53) PTGIR
SCHEMBL8414330 0.79 CYP19A1 (0.50) CYP19A1PTGIRDRD2DRD3DRD4
SCHEMBL8410999 0.79 CYP19A1 (0.50) CYP19A1PTGIRDRD2DRD3DRD4
SCHEMBL8411465 0.77 CYP19A1 (0.52) CYP19A1PTGIRDRD2DRD3DRD4
SCHEMBL7772431 0.72 PTGIR (0.73) CYP19A1PTGIR

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