SCHEMBL7254126

SCHEMBL7254126

O=c1c2c([nH]c3ccccc13)CN(c1ncc(-c3ncccn3)cn1)C2c1ccc2occc2c1

nearest known ligand 0.65

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 12/20 0.43
PDE6C P51160 2/20 0.39

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
SCHEMBL6407216 0.92 PDE5A (0.48) PDE5APDE6C
SCHEMBL7254113 0.87 PDE5A (0.59) PDE5APDE6C
SCHEMBL6407209 0.79 PDE5A (0.61) PDE5APDE6C
SCHEMBL6407107 0.70 PDE5A (0.57) PDE5APDE6C
SCHEMBL7254118 0.64 KCNH2 (0.34)
SCHEMBL6407022 0.62 PDE5A (0.78) PDE5A
SCHEMBL6407036 0.61 PDE5A (0.81) PDE5A
SCHEMBL6407728 0.61 PDE5A (0.83) PDE5A
SCHEMBL1891581 0.61 PDE5A (0.83) PDE5A
SCHEMBL1921643 0.60 KMT2A (0.69) PDE5APDE6C

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-6635638-B2 Treatment of sexual dysfunction, cardiovascular system disorders ORTHO-MCNEIL PHARMACEUTICAL, INC. 2003-10-21 US disclosed