SCHEMBL6775467

SCHEMBL6775467

CCCOc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1-c1nc2c(CCC)n(CC3CCC3)nc2c(=O)[nH]1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 20/20 0.62
PDE6C P51160 3/20 0.60
PDE11A Q9HCR9 2/20 0.60
PDE6D O43924 2/20 0.60
PDE6A P16499 2/20 0.60
PDE6G P18545 2/20 0.60
PDE6B P35913 2/20 0.60
PDE6H Q13956 2/20 0.60
PDE2A O00408 1/20 0.60
ABCC4 O15439 1/20 0.60
ABCC5 O15440 1/20 0.60
PDE8A O60658 1/20 0.60
PDE9A O76083 1/20 0.60
ABCB11 O95342 1/20 0.60
CYP3A4 P08684 1/20 0.60
HTR1A P08908 1/20 0.60
PDE4A P27815 1/20 0.60
ADORA2A P29274 1/20 0.60
ADORA1 P30542 1/20 0.60
ADRA1A P35348 1/20 0.60

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
SCHEMBL5595563 0.95 PDE5A (0.67) PDE5APDE6CPDE11APDE6DPDE6A
SCHEMBL6331817 0.88 PDE5A (0.65) PDE5APDE6CPDE11APDE6DPDE6A
SCHEMBL6332560 0.86 PDE5A (0.62) PDE5APDE6CPDE11APDE6DPDE6A
SCHEMBL6330156 0.85 PDE5A (0.61) PDE5APDE6CPDE11APDE6DPDE6A
SCHEMBL5595385 0.85 PDE5A (0.61) PDE5APDE6CPDE11APDE6DPDE6A
SCHEMBL6333001 0.84 PDE5A (0.80) PDE5APDE6CPDE11APDE6DPDE6A
SCHEMBL6334350 0.84 PDE5A (0.62) PDE5APDE6CPDE11APDE6DPDE6A
SCHEMBL6332154 0.84 PDE5A (0.60) PDE5APDE6CPDE11APDE6DPDE6A
SCHEMBL6332127 0.84 PDE5A (0.61) PDE5APDE6CPDE11APDE6DPDE6A
SCHEMBL6332267 0.83 PDE5A (0.62) PDE5APDE6CPDE11APDE6DPDE6A

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