SCHEMBL31473168

SCHEMBL31473168

COc1cc(CN2C(=O)[C@H](C)N(C)C(=O)[C@@H]2CO)cc(OC)c1OC

nearest known ligand 0.45

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
FSHR P23945 6/20 0.43
KDM4E B2RXH2 2/20 0.40
MEN1 O00255 1/20 0.40
ALDH1A1 P00352 1/20 0.40
KMT2A Q03164 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
POLB P06746 1/20 0.40

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
SCHEMBL30769750 0.80 FKBP1A (0.39) FSHR
SCHEMBL31473152 0.80 FKBP1A (0.39) FSHR
SCHEMBL10641601 0.64 LMNA (0.45) KDM4EMEN1KMT2ASMN1; SMN2POLB
SCHEMBL25937459 0.63 CAPN1 (0.47) KDM4EALDH1A1KMT2A
SCHEMBL31758165 0.63 SLC29A1 (0.44) KDM4EMEN1ALDH1A1KMT2ATDP1
SCHEMBL1122521 0.62 PTGS2 (0.64)
SCHEMBL31473158 0.61 EHMT2 (0.40)
SCHEMBL23501067 0.61 MEN1 (0.58) KDM4EMEN1ALDH1A1KMT2ATDP1
SCHEMBL21852756 0.60 TUBB4A (0.53) MEN1ALDH1A1KMT2ASMN1; SMN2POLB
SCHEMBL20707984 0.60 CYP3A4 (0.42) MEN1KMT2ATDP1SMN1; SMN2

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