SCHEMBL2170767

SCHEMBL2170767

CCN(c1ccccc1)[C@@](CC(C)C)(C(N)=O)C(=O)N(C)OC

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.37
NR1H2 P55055 3/20 0.34
NR1H3 Q13133 3/20 0.34
ALDH1A1 P00352 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
KDM4E B2RXH2 1/20 0.33
GLA P06280 1/20 0.33
TSHR P16473 1/20 0.33
GRIN2D O15399 2/20 0.32
GRIN1 Q05586 2/20 0.32
GRIN2A Q12879 2/20 0.32
GRIN2B Q13224 2/20 0.32
GRIN2C Q14957 2/20 0.32
OPRM1 P35372 2/20 0.32
FAAH O00519 1/20 0.32
CACNA1F O60840 1/20 0.32
ABCB1 P08183 1/20 0.32
CYP2B6 P20813 1/20 0.32
DRD4 P21917 1/20 0.32
DRD3 P35462 1/20 0.32

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
SCHEMBL11051641 0.72 MAPT (0.40) MAPTALDH1A1SMN1; SMN2KDM4EGLA
SCHEMBL4866544 0.70 CHRM3 (0.34) MAPTALDH1A1OPRM1FAAHMEN1
SCHEMBL4866159 0.68 OPRD1 (0.41) MAPTOPRD1KCNH2MEN1KMT2A
SCHEMBL4957427 0.68 KMT2A (0.39) MAPTNR1H2NR1H3ALDH1A1SMN1; SMN2
SCHEMBL4867357 0.66 KMT2A (0.40) NR1H2NR1H3ALDH1A1SMN1; SMN2OPRM1
SCHEMBL4954835 0.66 OPRD1 (0.38) MAPTALDH1A1OPRM1OPRD1OPRK1
SCHEMBL26227072 0.65 MAPT (0.37) MAPTNR1H2NR1H3ALDH1A1SMN1; SMN2
SCHEMBL3965578 0.64 MCL1 (0.40) MAPTALDH1A1KDM4E
SCHEMBL8217458 0.64 HPGD (0.46) ALDH1A1TSHROPRK1KCNH2MEN1
Hydrochloric Acid SCHEMBL4304994 0.64 MCL1 (0.39) MAPTALDH1A1KDM4E

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
US-7973037-B2 Cathepsin cysteine protease inhibitors AXYS PHARMACEUTICALS, INC. (US) 2011-07-05 US disclosed