SCHEMBL28258253

SCHEMBL28258253

CC(C)(C)C(=O)ON1CCN(c2ccc(C3CC(N)C3)cc2)CC1

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 1/20 0.37
ITGA2B P08514 1/20 0.37
KDM1A O60341 5/20 0.37
MAOA P21397 5/20 0.37
MAOB P27338 5/20 0.37
KDM1B Q8NB78 5/20 0.37
RCOR1 Q9UKL0 5/20 0.37
GPR119 Q8TDV5 7/20 0.36
NAMPT P43490 1/20 0.35
MAPT P10636 2/20 0.35
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
CASP6 P55212 1/20 0.34
GFER P55789 1/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
POLB P06746 1/20 0.33
TDP1 Q9NUW8 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
SCHEMBL19212239 0.80 MAPT (0.57) GPR119NAMPTMAPTALDH1A1LMNA
SCHEMBL27615060 0.80 GFER (0.54) ITGB3ITGA2BGPR119NAMPTMAPT
SCHEMBL28258189 0.79 GAA (0.41) KDM1AMAOANAMPTMAPTALDH1A1
SCHEMBL27859336 0.77 DRD2 (0.48) GPR119NAMPTMAPTALDH1A1LMNA
SCHEMBL28331829 0.77 ALDH1A1 (0.51) MAPTALDH1A1LMNAGFER
SCHEMBL27605764 0.77 AKR1C3 (0.47) ITGB3ITGA2BGPR119NAMPTMAPT
SCHEMBL27981599 0.77 GPR119 (0.49) GPR119MAPTALDH1A1LMNAMEN1
SCHEMBL28675131 0.75 ALDH1A1 (0.54) MAOBMAPTALDH1A1LMNAPOLB
SCHEMBL27981818 0.75 CA12 (0.54) MAOBNAMPTMAPTLMNAMEN1
SCHEMBL27908416 0.74 ALDH1A1 (0.56) MAPTALDH1A1LMNAKMT2APOLB

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-109071560-A Thienopyridine formamide as ubiquitin-specific protease inhibitor 福马治疗股份有限公司 2018-12-21 CN disclosed