SCHEMBL459450

SCHEMBL459450

O=[C]N1CCC(c2nc(CCl)cs2)CC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 2/20 0.40
GFER P55789 1/20 0.36
ALDH1A1 P00352 4/20 0.35
TDP1 Q9NUW8 3/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
SMN1; SMN2 Q16637 3/20 0.34
KMT2A Q03164 1/20 0.34
RAB9A P51151 3/20 0.33
NPC1 O15118 2/20 0.33
POLB P06746 1/20 0.33
GAA P10253 1/20 0.33
AOC3 Q16853 1/20 0.33
GPR119 Q8TDV5 3/20 0.32
KDM4E B2RXH2 3/20 0.32
DNM1L O00429 2/20 0.31
DRD2 P14416 1/20 0.31
HTR2A P28223 1/20 0.31
MAPT P10636 1/20 0.31
ERBB2 P04626 1/20 0.30
EPHA2 P29317 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
SCHEMBL1062975 0.82 SLC6A3 (0.48) SLC6A3GFERALDH1A1TDP1L3MBTL1
Hydrochloric Acid SCHEMBL7181165 0.81 SLC6A3 (0.47) SLC6A3GFERALDH1A1TDP1L3MBTL1
SCHEMBL1118089 0.80 SLC6A3 (0.40) SLC6A3SMN1; SMN2KMT2AAOC3GPR119
SCHEMBL9065445 0.79 DRD2 (0.43) SLC6A3GFERALDH1A1TDP1L3MBTL1
SCHEMBL9265855 0.79 SLC6A3 (0.43) SLC6A3GFERALDH1A1TDP1L3MBTL1
SCHEMBL12036245 0.79 BAZ2A (0.43) SLC6A3SMN1; SMN2KMT2AAOC3GPR119
Hydrochloric Acid SCHEMBL7184215 0.78 SLC6A3 (0.42) SLC6A3GFERALDH1A1TDP1L3MBTL1
Hydrochloric Acid SCHEMBL7174596 0.78 DRD2 (0.42) SLC6A3GFERALDH1A1TDP1L3MBTL1
SCHEMBL459218 0.74 DNM1L (0.38) SLC6A3AOC3GPR119DNM1L
SCHEMBL27768211 0.74 GPR119 (0.42) SLC6A3ALDH1A1TDP1SMN1; SMN2KMT2A

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-2012011707-A2 SUBSTITUTED PYRIDINONE DERIVATIVES AND METHODS FOR MANUFACTURING THE SAME HYUNDAI PHARM CO., LTD. (KR) 2012-01-26 WO disclosed