SCHEMBL4007775

SCHEMBL4007775

N#CC[C@H](CCl)OCc1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 3/20 0.39
TSHR P16473 1/20 0.38
SLC1A3 P43003 2/20 0.36
SLC1A2 P43004 2/20 0.36
SLC1A1 P43005 2/20 0.36
MEN1 O00255 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
KMT2A Q03164 1/20 0.36
IDO1 P14902 1/20 0.35
CTSL P07711 4/20 0.35
CTSB P07858 2/20 0.35
CTSK P43235 2/20 0.35
AGXT P21549 1/20 0.34
ALDH1A1 P00352 2/20 0.34
SLC6A2 P23975 2/20 0.34
SLC6A4 P31645 2/20 0.34
SLC6A3 Q01959 2/20 0.34

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
SCHEMBL4007778 1.00 MAOB (0.39) MAOBTSHRSLC1A3SLC1A2SLC1A1
SCHEMBL11221440 0.83 TSHR (0.48) TSHRSLC1A3SLC1A2SLC1A1MEN1
SCHEMBL7050412 0.83 CTSL (0.39) MAOBTSHRSLC1A3SLC1A2SLC1A1
SCHEMBL14047282 0.80 TSHR (0.41) TSHRSLC1A3SLC1A2SLC1A1MEN1
SCHEMBL9522728 0.79 MAOB (0.44) MAOBSLC1A3SLC1A2SLC1A1MEN1
SCHEMBL2356287 0.79 MAOB (0.41) MAOBTSHRSLC1A3SLC1A2SLC1A1
SCHEMBL2354398 0.78 MAOB (0.43) MAOBTSHRSLC1A3SLC1A2SLC1A1
SCHEMBL6379469 0.77 SLC1A3 (0.42) TSHRSLC1A3SLC1A2SLC1A1MEN1
SCHEMBL871423 0.77 TSHR (0.41) MAOBTSHRSLC1A3SLC1A2SLC1A1
SCHEMBL28576014 0.77 SLC1A3 (0.42) TSHRSLC1A3SLC1A2SLC1A1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1926709-A4 PROCESS FOR THE PREPARATION OF CHIRAL 3-HYDROXY PYRROLIDINE COMPOUND AND DERIVATIVES THEREOF HAVING HIGH OPTICAL PURITY RSTECH CORP (KR) 2009-06-24 EP disclosed
EP-1926709-A1 PROCESS FOR THE PREPARATION OF CHIRAL 3-HYDROXY PYRROLIDINE COMPOUND AND DERIVATIVES THEREOF HAVING HIGH OPTICAL PURITY RStech Corporation (KR) 2008-06-04 EP disclosed
WO-2007024113-A1 PROCESS FOR THE PREPARATION OF CHIRAL 3-HYDROXY PYRROLIDINE COMPOUND AND DERIVATIVES THEREOF HAVING HIGH OPTICAL PURITY RSTECH CORPORATION (KR) 2007-03-01 WO disclosed