SCHEMBL7271892

SCHEMBL7271892

COc1cc(OCc2ccccc2)ccc1-c1nc2cnccc2[nH]1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE5A O76074 5/20 0.51
▸ PDE2A O00408 2/20 0.48
▸ PDGFRB P09619 1/20 0.48
▸ PDGFRA P16234 1/20 0.48
▸ PDE3B Q13370 1/20 0.47
▸ PDE3A Q14432 1/20 0.47
▸ MAPT P10636 3/20 0.45
▸ KDM4E B2RXH2 1/20 0.45
▸ PRMT5 O14744 3/20 0.44
▸ PDE4A P27815 2/20 0.43
▸ PDE4B Q07343 2/20 0.43
▸ PDE4C Q08493 2/20 0.43
▸ PDE4D Q08499 2/20 0.43
▸ MAPK1 P28482 2/20 0.43
▸ CHEK1 O14757 2/20 0.43
▸ PDE10A Q9Y233 1/20 0.42
▸ NPSR1 Q6W5P4 1/20 0.41
▸ NOD2 Q9HC29 1/20 0.41
▸ CYP3A4 P08684 1/20 0.41
▸ KDM4C Q9H3R0 1/20 0.41

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
Hydrochloric Acid SCHEMBL9636258 0.99 PDE5A (0.52) PDE5APDE2APDGFRBPDGFRAPDE3B
SCHEMBL10745905 0.88 AMY1A (0.53) PDE5APDE2APDGFRBPDGFRAMAPT
Hydrochloric Acid SCHEMBL10737331 0.86 PDGFRB (0.49) PDE5APDE2APDGFRBPDGFRAPDE3B
SCHEMBL7281375 0.86 PDE5A (0.51) PDE5APDE2APDE3BPDE3AMAPT
SCHEMBL10964355 0.85 CHEK1 (0.43) PDE5APDGFRBPDGFRAMAPTKDM4E
SCHEMBL7270959 0.84 PDE2A (0.58) PDE5APDE2APDE3BPDE3AMAPT
SCHEMBL11019408 0.83 AMY1A (0.46) PDE5APDE2APDGFRBPDGFRAMAPT
SCHEMBL9634292 0.83 PDE5A (0.49) PDE5APDE2APDE3BPDE3AKDM4E
SCHEMBL11019352 0.83 AMY1A (0.47) PDE5APDE2APDGFRBPDGFRAMAPT
SCHEMBL11021153 0.83 PDE2A (0.46) PDE5APDE2APDGFRBPDGFRAMAPT

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
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-0155094-A1 2-Arylimidazo(4,5-c)pyridines ELI LILLY AND COMPANY (US) 1985-09-18 — — EP disclosed
EP-0093593-A2 Pyridine compounds ELI LILLY AND COMPANY (US) 1983-11-09 — — EP disclosed
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