SCHEMBL8908523

SCHEMBL8908523

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

nearest known ligand 0.53

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TRIM58 Q8NG06 8/20 0.53
VCP P55072 8/20 0.42
HTR3A P46098 1/20 0.41
BRD4 O60885 1/20 0.35
LMNA P02545 1/20 0.34

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
SCHEMBL8904733 0.87 TRIM58 (0.56) TRIM58VCPHTR3A
SCHEMBL8891165 0.84 TRIM58 (0.55) TRIM58VCPHTR3A
SCHEMBL8906810 0.83 TRIM58 (0.52) TRIM58VCPHTR3A
SCHEMBL8906282 0.80 TRIM58 (0.56) TRIM58VCPHTR3A
SCHEMBL8890942 0.80 VCP (0.48) TRIM58VCP
SCHEMBL8900442 0.80 TRIM58 (0.48) TRIM58VCPHTR3A
SCHEMBL8908526 0.71 TRIM58 (0.45) TRIM58HTR3A
SCHEMBL13796772 0.67 NPY5R (0.68)
SCHEMBL21055791 0.67 TRIM58 (0.74) TRIM58BRD4LMNA
SCHEMBL8889922 0.66 NPY5R (0.49) 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 1 patent. 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 disclosed