SCHEMBL6776160

SCHEMBL6776160

CCCOc1ccc(S(=O)(=O)N2CCN(CCO)CC2)cc1-c1nc2c(CCC)nn(Cc3ccccc3N)c2c(=O)[nH]1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 20/20 0.69
PDE3B Q13370 4/20 0.69
PDE3A Q14432 4/20 0.69
HDAC1 Q13547 2/20 0.57
HDAC6 Q9UBN7 2/20 0.57
PDE2A O00408 1/20 0.57
ABCC4 O15439 1/20 0.57
ABCC5 O15440 1/20 0.57
PDE6D O43924 1/20 0.57
PDE8A O60658 1/20 0.57
PDE9A O76083 1/20 0.57
ABCB11 O95342 1/20 0.57
CYP3A4 P08684 1/20 0.57
HTR1A P08908 1/20 0.57
PDE6A P16499 1/20 0.57
PDE6G P18545 1/20 0.57
PDE4A P27815 1/20 0.57
ADORA2A P29274 1/20 0.57
ADORA1 P30542 1/20 0.57
ADRA1A P35348 1/20 0.57

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
SCHEMBL6340435 0.91 PDE5A (0.67) PDE5APDE3BPDE3AHDAC1HDAC6
SCHEMBL6338902 0.90 PDE5A (0.61) PDE5APDE3BPDE3AHDAC1HDAC6
SCHEMBL6330994 0.90 PDE5A (0.66) PDE5APDE3BPDE3AHDAC1HDAC6
SCHEMBL439392 0.89 PDE5A (0.78) PDE5APDE3BPDE3AHDAC1HDAC6
SCHEMBL5595608 0.89 PDE5A (0.69) PDE5APDE3BPDE3AHDAC1HDAC6
SCHEMBL6337101 0.88 PDE5A (0.74) PDE5APDE3BPDE3AHDAC1HDAC6
SCHEMBL6332389 0.87 PDE5A (0.72) PDE5APDE3BPDE3AHDAC1HDAC6
SCHEMBL6332020 0.87 PDE5A (0.69) PDE5APDE3BPDE3AHDAC1HDAC6
SCHEMBL1190 0.87 PDE5A (0.90) PDE5APDE3BPDE3AHDAC1HDAC6
SCHEMBL31202702 0.87 PDE5A (0.90) PDE5APDE3BPDE3AHDAC1HDAC6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6723719-B1 DYSMENORRHOEA, BENIGN PROSTATIC HYPERPLASIA (BPH), BLADDER OUTLET OBSTRUCTION, INCONTINENCE, AGINA, CONGESTIVE HEART FAILURE, ATHEROSCLEROSIS; HYPOTENSIVE AND ANTIALLERGEN AGENTS PFIZER INC 2004-04-20 US disclosed