SCHEMBL4770053

SCHEMBL4770053

CC(C)(C)OC(=O)N1CCC[C@H]1N(c1ccc(F)c(Cl)c1)c1cccc(C#N)n1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.41
LMNA P02545 3/20 0.41
USP30 Q70CQ3 4/20 0.40
ALDH1A1 P00352 2/20 0.38
UCHL1 P09936 2/20 0.38
POLQ O75417 3/20 0.37
MEN1 O00255 1/20 0.37
MAPT P10636 1/20 0.37
HTT P42858 1/20 0.37
KMT2A Q03164 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
POLB P06746 1/20 0.36
GRM5 P41594 2/20 0.36
EED O75530 1/20 0.35
RBBP4 Q09028 1/20 0.35
SUZ12 Q15022 1/20 0.35
EZH2 Q15910 1/20 0.35
AEBP2 Q6ZN18 1/20 0.35

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
SCHEMBL4770050 1.00 TSHR (0.41) TSHRLMNAUSP30ALDH1A1UCHL1
SCHEMBL4763962 0.88 TSHR (0.43) TSHRLMNAUSP30ALDH1A1UCHL1
SCHEMBL4763964 0.88 TSHR (0.43) TSHRLMNAUSP30ALDH1A1UCHL1
SCHEMBL331718 0.84 TSHR (0.40) TSHRLMNAUSP30ALDH1A1UCHL1
SCHEMBL331719 0.84 TSHR (0.40) TSHRLMNAUSP30ALDH1A1UCHL1
SCHEMBL4770075 0.84 PGR (0.42) TSHRLMNAALDH1A1POLQMEN1
SCHEMBL331260 0.84 PGR (0.45) USP30POLQMEN1KMT2A
SCHEMBL331259 0.84 PGR (0.45) USP30POLQMEN1KMT2A
SCHEMBL4764174 0.82 MALT1 (0.43) TSHRLMNAUSP30ALDH1A1UCHL1
SCHEMBL4769937 0.79 TSHR (0.41) TSHRLMNAUSP30ALDH1A1UCHL1

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