SCHEMBL31473157

SCHEMBL31473157

CC1C(=O)N(C)C(COC(C)(C)C)C(=O)N1Cc1cn(C)cn1

nearest known ligand 0.32

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 1/20 0.32
TSHR P16473 1/20 0.32
CYP2C19 P33261 1/20 0.32
MTOR P42345 1/20 0.32
HRH4 Q9H3N8 1/20 0.32
HRH3 Q9Y5N1 1/20 0.32
TDP1 Q9NUW8 1/20 0.31

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
SCHEMBL31473155 0.81 FSHR (0.31)
SCHEMBL31473141 0.72 CAPN1 (0.35)
SCHEMBL31473150 0.67 HDAC1 (0.40)
SCHEMBL31473148 0.64 BRD4 (0.33)
SCHEMBL31473167 0.63 MAPT (0.38) CYP2C9CYP2C19TDP1
SCHEMBL31473132 0.62 HCRTR1 (0.45)
SCHEMBL31473158 0.61 EHMT2 (0.40)
SCHEMBL27325155 0.58 HRH3 (0.46) CYP2C9TSHRCYP2C19MTORHRH4
SCHEMBL25836690 0.57 KDM4E (0.46) CYP2C9TSHRCYP2C19MTORHRH4
SCHEMBL24491921 0.57 CYP2C9 (0.42) CYP2C9TSHRCYP2C19MTORHRH4

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
CN-119403810-A Compounds, pharmaceutical compositions containing them and their medical use for the treatment or prevention of vascular diseases 瓦斯塞拉股份有限公司 2025-02-07 CN disclosed