SCHEMBL31399260

SCHEMBL31399260

CCNC(=O)C1CC=CCN1C(=O)OC(C)(C)C

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.40
ALDH1A1 P00352 1/20 0.39
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38
ATM Q13315 1/20 0.38
LMNA P02545 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
POLB P06746 2/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C19 P33261 1/20 0.36
HDAC8 Q9BY41 6/20 0.36
NPC1 O15118 1/20 0.36
PREP P48147 1/20 0.35
GPR119 Q8TDV5 1/20 0.34
PTPN1 P18031 2/20 0.34
SCN5A Q14524 1/20 0.33
SCN3A Q9NY46 1/20 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
SCHEMBL7870376 0.80 NR1H2 (0.43) SMN1; SMN2ALDH1A1KMT2AMEN1LMNA
SCHEMBL16824590 0.80 HSD17B10 (0.42) SMN1; SMN2KMT2AMEN1ATMLMNA
SCHEMBL16824591 0.80 HSD17B10 (0.42) SMN1; SMN2KMT2AMEN1ATMLMNA
SCHEMBL610128 0.80 HSD17B10 (0.42) SMN1; SMN2KMT2AMEN1ATMLMNA
SCHEMBL28621971 0.75 LMNA (0.47) ALDH1A1KMT2AMEN1LMNANPSR1
SCHEMBL28202604 0.75 CHRM2 (0.42) SMN1; SMN2LMNANPSR1POLBCYP1A2
SCHEMBL617770 0.75 SMN1; SMN2 (0.66) SMN1; SMN2ALDH1A1KMT2AMEN1LMNA
SCHEMBL12072337 0.75 SMN1; SMN2 (0.66) SMN1; SMN2ALDH1A1KMT2AMEN1LMNA
SCHEMBL13990630 0.75 SMN1; SMN2 (0.66) SMN1; SMN2ALDH1A1KMT2AMEN1LMNA
SCHEMBL13359249 0.74 SMN1; SMN2 (0.61) SMN1; SMN2ALDH1A1KMT2AMEN1LMNA

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-115703765-B Substituted triazole derivative, preparation method, pharmaceutical composition and application thereof 上海赛默罗生物科技有限公司 2025-02-28 CN disclosed