SCHEMBL4764170

SCHEMBL4764170

CC(C)(C)OC(=O)N1CCC[C@H]1Nc1nccc(-c2ccc(F)c(Cl)c2)c1C#N

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RORC P51449 1/20 0.40
GPR119 Q8TDV5 3/20 0.39
ALDH1A1 P00352 2/20 0.39
CHRM3 P20309 3/20 0.39
KDM4E B2RXH2 1/20 0.38
LMNA P02545 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
UCHL1 P09936 2/20 0.37
MALT1 Q9UDY8 1/20 0.37
TBK1 Q9UHD2 2/20 0.36
EED O75530 1/20 0.36
RBBP4 Q09028 1/20 0.36
SUZ12 Q15022 1/20 0.36
EZH2 Q15910 1/20 0.36
AEBP2 Q6ZN18 1/20 0.36

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
SCHEMBL4770044 0.85 ALDH1A1 (0.39) GPR119ALDH1A1CHRM3LMNAUCHL1
SCHEMBL4763365 0.80 CHRM3 (0.42) ALDH1A1CHRM3
SCHEMBL4764264 0.77 ALDH1A1 (0.41) ALDH1A1CHRM3KDM4ELMNAMALT1
SCHEMBL4791257 0.77 ALDH1A1 (0.38) ALDH1A1CHRM3
SCHEMBL330988 0.76 ALDH1A1 (0.49) ALDH1A1LMNAMALT1
SCHEMBL330987 0.76 ALDH1A1 (0.49) ALDH1A1LMNAMALT1
SCHEMBL4792050 0.74 CHRM3 (0.42) ALDH1A1CHRM3
SCHEMBL4764117 0.74 GPR119 (0.44) GPR119CHRM3
SCHEMBL28505081 0.74 POLB (0.47) GPR119ALDH1A1KDM4ELMNA
SCHEMBL28505082 0.74 POLB (0.47) GPR119ALDH1A1KDM4ELMNA

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1881975-A1 N,N-SUBSTITUTED 3-AMINOPYRROLIDINE COMPOUNDS USEFUL AS MONOAMINES REUPTAKE INHIBITORS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2008-01-30 EP disclosed
WO-2006121218-A1 N,N-SUBSTITUTED 3-AMINOPYRROLIDINE COMPOUNDS USEFUL AS MONOAMINES REUPTAKE INHIBITORS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2006-11-16 WO disclosed