SCHEMBL6996946

SCHEMBL6996946

CCOc1ncc(S(=O)(=O)N2CCN(CC)CC2)cc1C(=O)Nc1c(C(N)=O)nn(C)c1Br

nearest known ligand 0.72

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 7/20 0.72
KMT2A Q03164 2/20 0.60
ALDH1A1 P00352 3/20 0.43
KDM4E B2RXH2 2/20 0.42
RXFP1 Q9HBX9 1/20 0.42
PKM P14618 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.37
PABPC1 P11940 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
CYP2D6 P10635 1/20 0.37

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
SCHEMBL6197426 0.91 PDE5A (0.81) PDE5AKMT2AALDH1A1KDM4ERXFP1
SCHEMBL6444664 0.90 PDE5A (0.74) PDE5AKMT2AALDH1A1KDM4ERXFP1
SCHEMBL6999379 0.90 PDE5A (0.69) PDE5AKMT2AALDH1A1KDM4ERXFP1
SCHEMBL7003001 0.87 PDE5A (0.66) PDE5AKMT2AALDH1A1KDM4ERXFP1
SCHEMBL6856004 0.86 PDE5A (0.67) PDE5AKMT2AALDH1A1KDM4ERXFP1
SCHEMBL6447569 0.86 PDE5A (0.78) PDE5AKMT2AALDH1A1KDM4ERXFP1
SCHEMBL3586124 0.85 PDE5A (0.74) PDE5AKMT2A
SCHEMBL6448057 0.85 PDE5A (0.67) PDE5AKMT2AALDH1A1KDM4ERXFP1
SCHEMBL2404751 0.84 PDE5A (0.75) PDE5AKMT2A
SCHEMBL3573368 0.84 PDE5A (0.88) PDE5AKMT2AKDM4ERXFP1

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-1123296-B1 PYRAZOLOPYRIMIDINONE cGMP PDE5 INHIBITORS FOR THE TREATMENT OF SEXUAL DYSFUNCTION PFIZER LTD (GB) 2003-09-17 EP disclosed
US-6333330-B1 Pyrazolopyrimidinone CGMP PDE5 inhibitors for the treatment of sexual dysfunction PFIZER INC. 2001-12-25 US disclosed
EP-1123296-A1 PYRAZOLOPYRIMIDINONE cGMP PDE5 INHIBITORS FOR THE TREATMENT OF SEXUAL DYSFUNCTION Pfizer Limited (GB) 2001-08-16 EP disclosed
WO-2000024745-A1 PYRAZOLOPYRIMIDINONE cGMP PDE5 INHIBITORS FOR THE TREATMENT OF SEXUAL DYSFUNCTION PFIZER LIMITED (GB) 2000-05-04 WO disclosed