SCHEMBL7350274

SCHEMBL7350274

CCCOc1ccc(/C=C/C(=O)N2CCOCC2)cc1-c1nc2c(c(C)nn2CCC)c(=O)[nH]1

nearest known ligand 0.58

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 20/20 0.58
PDE1A P54750 1/20 0.51
PDE1B Q01064 1/20 0.51
PDE1C Q14123 1/20 0.51

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
SCHEMBL3835865 1.00 PDE5A (0.58) PDE5APDE1APDE1BPDE1C
SCHEMBL5595379 0.87 PDE5A (0.66) PDE5A
SCHEMBL7346033 0.87 PDE5A (0.66) PDE5A
SCHEMBL5595341 0.84 PDE5A (0.61) PDE5A
SCHEMBL7347444 0.84 PDE5A (0.61) PDE5A
SCHEMBL3841327 0.83 PDE5A (0.59) PDE5APDE1APDE1BPDE1C
SCHEMBL3836975 0.80 PDE5A (0.76) PDE5APDE1APDE1BPDE1C
SCHEMBL7795495 0.77 NPC1 (0.48) PDE5A
SCHEMBL3842772 0.77 PDE5A (0.75) PDE5APDE1APDE1BPDE1C
SCHEMBL7348770 0.75 PDE5A (1.00) 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0993300-A4 ANTITHROMBOTIC AGENTS LILLY CO ELI (US) 2002-07-31 EP disclosed
US-6200980-B1 ADMINISTERING PHENYL PURINONE COMPOUND FOR TREATING PRECANCEROUS LEISONS CELL PATHWAYS, INC. 2001-03-13 US disclosed
EP-0993300-A1 ANTITHROMBOTIC AGENTS ELI LILLY AND COMPANY (US) 2000-04-19 EP disclosed
WO-1998048798-A1 ANTITHROMBOTIC AGENTS ELI LILLY AND COMPANY (US) 1998-11-05 WO disclosed
WO-1993007149-A1 PYRAZOLOPYRIMIDINONE ANTIANGINAL AGENTS PFIZER LIMITED (GB) 1993-04-15 WO disclosed