SCHEMBL4762829

SCHEMBL4762829

c1csc(Nc2ccsc2C2CCNC2)c1

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HTR3A P46098 1/20 0.33
JAK3 P52333 1/20 0.32
ALDH1A1 P00352 1/20 0.31
MAPT P10636 1/20 0.31
HPGD P15428 1/20 0.31
ALOX15 P16050 1/20 0.31
GFER P55789 1/20 0.31
HSD17B10 Q99714 1/20 0.31

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
SCHEMBL330737 0.73 BCL9 (0.35) HTR3AJAK3
SCHEMBL330528 0.73 SLC6A2 (0.36) JAK3ALDH1A1
SCHEMBL330591 0.71 MAPKAPK2 (0.44) HTR3AJAK3HPGD
SCHEMBL3648603 0.70 HTR3A (0.44) HTR3AALDH1A1MAPT
SCHEMBL5467244 0.66 SLC18A3 (0.48) ALDH1A1MAPT
Hydrochloric Acid SCHEMBL2803164 0.65 SLC18A3 (0.47) ALDH1A1MAPT
SCHEMBL717594 0.62 GAA (0.42) ALDH1A1MAPTHPGDALOX15GFER
SCHEMBL7533765 0.62 HTR3A (0.37) HTR3A
SCHEMBL7014154 0.61 HTR6 (0.45) MAPT
SCHEMBL6649561 0.61 MEN1 (0.48) GFER

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2008540329-A 2008-11-20 JP claimed
EP-1881975-A1 N,N-SUBSTITUTED 3-AMINOPYRROLIDINE COMPOUNDS USEFUL AS MONOAMINES REUPTAKE INHIBITORS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2008-01-30 EP claimed
WO-2006121218-A1 N,N-SUBSTITUTED 3-AMINOPYRROLIDINE COMPOUNDS USEFUL AS MONOAMINES REUPTAKE INHIBITORS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2006-11-16 WO claimed
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