SCHEMBL8890942

SCHEMBL8890942

CCCCC(=O)[C@H]1CC[C@H](CNc2nc(NC)c3cc(-c4ccc(C)cc4)ccc3n2)CC1

nearest known ligand 0.48

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
VCP P55072 15/20 0.48
TRIM58 Q8NG06 5/20 0.48

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
SCHEMBL8900442 0.82 TRIM58 (0.48) VCPTRIM58
SCHEMBL8906810 0.81 TRIM58 (0.52) VCPTRIM58
SCHEMBL8908523 0.80 TRIM58 (0.53) VCPTRIM58
SCHEMBL8891165 0.80 TRIM58 (0.55) VCPTRIM58
SCHEMBL8906282 0.78 TRIM58 (0.56) VCPTRIM58
SCHEMBL8910869 0.77 TRIM58 (0.55) VCPTRIM58
SCHEMBL8904733 0.76 TRIM58 (0.56) VCPTRIM58
SCHEMBL8889919 0.69 VCP (0.52) VCP
SCHEMBL8890441 0.68 MEN1 (0.40) VCPTRIM58
SCHEMBL8908526 0.67 TRIM58 (0.45) TRIM58

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
WO-1997020823-A2 2-AMINO QUINAZOLINE DERIVATIVES AS NPY RECEPTOR ANTAGONISTS NOVARTIS AG (CH) 1997-06-12 WO claimed
WO-1997020823-A2 2-AMINO QUINAZOLINE DERIVATIVES AS NPY RECEPTOR ANTAGONISTS NOVARTIS AG (CH) 1997-06-12 WO disclosed