SCHEMBL7271001

SCHEMBL7271001

COCCOc1ccccc1-c1nc2cnccc2[nH]1

nearest known ligand 0.61

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 18/20 0.61
PDE4A P27815 6/20 0.49
PDE4B Q07343 6/20 0.49
PDE4C Q08493 6/20 0.49
PDE4D Q08499 6/20 0.49
AURKA O14965 1/20 0.44
AMY1A P0DUB6 1/20 0.43
PDE10A Q9Y233 1/20 0.43

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
SCHEMBL9635857 0.89 PDE5A (0.71) PDE5APDE4APDE4BPDE4CPDE4D
SCHEMBL9635706 0.86 PDE5A (0.63) PDE5APDE4APDE4BPDE4CPDE4D
SCHEMBL9635639 0.86 PDE5A (0.62) PDE5APDE4APDE4BPDE4CPDE4D
SCHEMBL10851751 0.84 PDE5A (0.80) PDE5AAURKAAMY1A
SCHEMBL10416662 0.84 PDE5A (0.57) PDE5APDE4APDE4BPDE4CPDE4D
SCHEMBL7279141 0.84 PDE5A (0.57) PDE5APDE4APDE4BPDE4CPDE4D
SCHEMBL7271240 0.84 PDE2A (0.48) PDE5AAURKAAMY1A
Hydrochloric Acid SCHEMBL7278014 0.83 PDE5A (0.80) PDE5AAURKAAMY1A
SCHEMBL9636034 0.81 PDE5A (0.54) PDE5APDE4APDE4BPDE4CPDE4D
SCHEMBL10960798 0.81 PDE5A (0.42) PDE5A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4904785-A INOTROPIC AGENTS FOR CARDIOVASCULAR DISORDERS ELI LILLY AND COMPANY (US) 1990-02-27 US disclosed
US-4758574-A 2-phenylimidazio (4,5-c) pyridines ELI LILLY AND COMPANY (US) 1988-07-19 US disclosed
EP-0093593-A2 Pyridine compounds ELI LILLY AND COMPANY (US) 1983-11-09 EP disclosed