Sugi Predict

Sugi Predict / Compounds / SCHEMBL7955086

SCHEMBL7955086

SCHEMBL7955086

CCn1ncc2c(NCc3ccc(OC)c(Cl)c3)c(C(=O)NCCCN3CCCC3=O)cnc21

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ PDE5A O76074 10/20 1.00
▸ TYRO3 Q06418 8/20 0.48
▸ MET P08581 2/20 0.48
▸ AXL P30530 2/20 0.48
▸ MERTK Q12866 2/20 0.48
▸ IKBKB O14920 1/20 0.48
▸ ABL1 P00519 1/20 0.48
▸ INSR P06213 1/20 0.48
▸ SRC P12931 1/20 0.48
▸ MAPK1 P28482 1/20 0.48
▸ GSK3B P49841 1/20 0.48
▸ PIM2 Q9P1W9 1/20 0.48
▸ L3MBTL1 Q9Y468 1/20 0.48
▸ SELP P16109 1/20 0.45

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
SCHEMBL7948041 0.87 PDE5A (0.77) PDE5A
SCHEMBL7961785 0.86 PDE5A (0.94) PDE5A
SCHEMBL7959070 0.85 PDE5A (0.98) PDE5A
SCHEMBL7956827 0.85 PDE5A (0.87) PDE5A
SCHEMBL7962059 0.85 PDE5A (1.00) PDE5A
SCHEMBL7947681 0.85 PDE5A (0.88) PDE5A
SCHEMBL7955490 0.84 PDE5A (0.90) PDE5A
SCHEMBL7961483 0.84 PDE5A (0.81) PDE5A
SCHEMBL7957461 0.84 PDE5A (0.74) PDE5A
SCHEMBL7955235 0.83 PDE5A (0.75) PDE5AMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6326379-B1 ERECTILE DYSFUNCTION; CARDIOVASCULAR DISORDERS BRISTOL-MYERS SQUIBB CO. 2001-12-04 — — US claimed
US-6326379-B1 ERECTILE DYSFUNCTION; CARDIOVASCULAR DISORDERS BRISTOL-MYERS SQUIBB CO. 2001-12-04 — — US disclosed