SCHEMBL16188752

SCHEMBL16188752

NC(=O)N1CCN(CC=O)CC1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.38
ALDH1A1 P00352 1/20 0.33
HTT P42858 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
HTR1A P08908 1/20 0.33
HTR2A P28223 1/20 0.33
HTR7 P34969 1/20 0.33
HTR6 P50406 1/20 0.33
PIK3CD O00329 1/20 0.31
NPC1 O15118 2/20 0.31
RAB9A P51151 2/20 0.31
MEN1 O00255 1/20 0.31
USP2 O75604 1/20 0.31
LMNA P02545 1/20 0.31
KMT2A Q03164 1/20 0.31
POLB P06746 2/20 0.31
PKM P14618 1/20 0.31
TSHR P16473 1/20 0.31
GAA P10253 1/20 0.30

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
SCHEMBL1783976 0.81 RAB9A (0.46) LTA4HALDH1A1HTR2ANPC1RAB9A
SCHEMBL4324165 0.81 LTA4H (0.37) LTA4HALDH1A1HTTNPSR1HTR1A
SCHEMBL3950203 0.80 LMNA (0.35) ALDH1A1PIK3CDNPC1RAB9AMEN1
SCHEMBL21051920 0.79 LTA4H (0.39) LTA4HALDH1A1HTTNPSR1HTR1A
SCHEMBL24310851 0.78 KDM4E (0.52) ALDH1A1POLBPKMTSHRGAA
SCHEMBL1754059 0.78 PIK3CD (0.53) ALDH1A1PIK3CDMEN1USP2KMT2A
SCHEMBL28374092 0.78
SCHEMBL422638 0.75
SCHEMBL572569 0.75 ALDH1A1 (0.45) LTA4HALDH1A1HTTNPSR1HTR1A
SCHEMBL7917431 0.75 LTA4H (0.37) LTA4HALDH1A1HTTNPSR1HTR1A

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
WO-2014169836-A1 19-NOR NEUROACTIVE STEROIDS AND METHODS OF USE THEREOF SAGE THERAPEUTICS, INC. (US) 2014-10-23 WO disclosed