SCHEMBL8908526

SCHEMBL8908526

CC[C@H]1CC[C@H](C(CS)Nc2nc(NC)c3cc(-c4ccc(C)cc4)ccc3n2)CC1

nearest known ligand 0.45

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TRIM58 Q8NG06 5/20 0.45
HTR3A P46098 1/20 0.35
NPR1 P16066 12/20 0.34
SOS1 Q07889 2/20 0.33

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
SCHEMBL8906810 0.74 TRIM58 (0.52) TRIM58HTR3A
SCHEMBL8900442 0.73 TRIM58 (0.48) TRIM58HTR3ANPR1
SCHEMBL8908523 0.71 TRIM58 (0.53) TRIM58HTR3A
SCHEMBL8906282 0.71 TRIM58 (0.56) TRIM58HTR3A
SCHEMBL8891165 0.71 TRIM58 (0.55) TRIM58HTR3A
SCHEMBL8904733 0.68 TRIM58 (0.56) TRIM58HTR3A
SCHEMBL8890942 0.67 VCP (0.48) TRIM58
SCHEMBL8898174 0.65 TRIM58 (0.56) TRIM58HTR3A
SCHEMBL21055791 0.61 TRIM58 (0.74) TRIM58
SCHEMBL14474555 0.58 CYP1A2 (0.67) 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