SCHEMBL7778680

SCHEMBL7778680

COc1cccc2c1CC[C@H](COS(C)(=O)=O)C2

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 2/20 0.57
CHRM1 P11229 2/20 0.57
CHRM3 P20309 2/20 0.57
CYP19A1 P11511 1/20 0.56
DRD2 P14416 12/20 0.54
DRD3 P35462 8/20 0.54
DRD4 P21917 6/20 0.54
CA1 P00915 2/20 0.52
CA2 P00918 2/20 0.52
ACHE P22303 2/20 0.52
SIGMAR1 Q99720 1/20 0.50
MTNR1A P48039 1/20 0.49
MTNR1B P49286 1/20 0.49

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
SCHEMBL7778683 1.00 CHRM2 (0.57) CHRM2CHRM1CHRM3CYP19A1DRD2
SCHEMBL7776659 0.85 CHRM2 (0.58) CHRM2CHRM1CHRM3CYP19A1DRD2
SCHEMBL10827763 0.82 CYP19A1 (0.44) CYP19A1CA1CA2SIGMAR1MTNR1A
SCHEMBL10043010 0.80 DRD2 (0.57) CHRM2CHRM1CHRM3CYP19A1DRD2
SCHEMBL3318329 0.80 DRD2 (0.57) CHRM2CHRM1CHRM3CYP19A1DRD2
SCHEMBL7777377 0.78 CYP19A1 (0.64) CHRM2CHRM1CHRM3CYP19A1DRD2
SCHEMBL9365199 0.78 DRD2 (0.66) CHRM2CHRM1CHRM3CYP19A1DRD2
SCHEMBL8414318 0.77 CHRM2 (0.67) CHRM2CHRM1CHRM3CYP19A1DRD2
Hydrochloric Acid SCHEMBL9688990 0.77 DRD2 (0.64) CHRM2CHRM1CHRM3CYP19A1DRD2
SCHEMBL29062558 0.77 CYP19A1 (0.62) CHRM2CHRM1CHRM3CYP19A1DRD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0749424-B1 NAPHTHALENE DERIVATIVES AS PROSTAGLANDIN I2 AGONISTS FUJISAWA PHARMACEUTICAL CO (JP) 2001-09-12 EP disclosed
US-5863918-A HYPOTENSIVE AGENTS, ANTICOAGULANTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1999-01-26 US disclosed
US-5763489-A ANTICOAGULANTS AND HYPOTENSIVE AGENTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1998-06-09 US disclosed
WO-1995024393-A1 NAPHTHALENE DERIVATIVES AS PROSTAGLANDIN I2 AGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1995-09-14 WO disclosed