SCHEMBL8910869

SCHEMBL8910869

CNc1nc(NC[C@H]2CC[C@H](C(O)c3ccccc3)CC2)nc2ccc(-c3ccc(C)cc3)cc12

nearest known ligand 0.55

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TRIM58 Q8NG06 5/20 0.55
VCP P55072 12/20 0.48
BCDIN3D Q7Z5W3 1/20 0.38
CTNNB1 P35222 1/20 0.38
TCF7L2 Q9NQB0 1/20 0.38

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 0.84 TRIM58 (0.48) TRIM58VCP
SCHEMBL8904733 0.81 TRIM58 (0.56) TRIM58VCP
SCHEMBL8891165 0.81 TRIM58 (0.55) TRIM58VCP
SCHEMBL8906282 0.81 TRIM58 (0.56) TRIM58VCP
SCHEMBL8908523 0.79 TRIM58 (0.53) TRIM58VCP
SCHEMBL8906810 0.79 TRIM58 (0.52) TRIM58VCP
SCHEMBL8890942 0.77 VCP (0.48) TRIM58VCP
SCHEMBL8908526 0.72 TRIM58 (0.45) TRIM58
SCHEMBL21055791 0.69 TRIM58 (0.74) TRIM58CTNNB1TCF7L2
SCHEMBL13796772 0.69 NPY5R (0.68)

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