SCHEMBL5435829

SCHEMBL5435829

Cc1cc(CNC2CCNC2)cc(C)c1OCc1cccc2ccccc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 1/20 0.44
SLC6A4 P31645 1/20 0.44
SLC6A3 Q01959 1/20 0.44
KMT2A Q03164 3/20 0.40
MEN1 O00255 2/20 0.40
MITF O75030 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C19 P33261 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
KDM1A O60341 4/20 0.39
KDM4E B2RXH2 1/20 0.38
GAA P10253 1/20 0.38
HTT P42858 1/20 0.38
BRD4 O60885 2/20 0.37
ATAD2 Q6PL18 2/20 0.37
EPHX1 P07099 1/20 0.36
REN P00797 1/20 0.36
TACR1 P25103 2/20 0.36

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
SCHEMBL1347844 0.81 PDCD1LG2 (0.40) KMT2AMEN1MITFCYP1A2CYP3A4
SCHEMBL5767768 0.74 SLC6A2 (0.58) SLC6A2SLC6A4SLC6A3CYP2D6KDM1A
SCHEMBL15249122 0.73 NPC1 (0.48) KMT2AMEN1CYP1A2CYP3A4CYP2D6
SCHEMBL5406642 0.72 FFAR1 (0.52) SLC6A2SLC6A4SLC6A3KMT2AMEN1
SCHEMBL1006286 0.71 SLC6A4 (0.54) SLC6A2SLC6A4SLC6A3KMT2ACYP2D6
SCHEMBL15249112 0.71 ALDH1A1 (0.50) KMT2AMEN1CYP1A2CYP3A4CYP2D6
SCHEMBL605459 0.71 SLC6A2 (0.63) SLC6A2SLC6A4SLC6A3KMT2AMEN1
SCHEMBL4766363 0.71 SLC6A2 (0.63) SLC6A2SLC6A4SLC6A3KMT2AMEN1
SCHEMBL239923 0.71 SLC6A2 (0.63) SLC6A2SLC6A4SLC6A3KMT2AMEN1
Hydrochloric Acid SCHEMBL697480 0.70 SLC6A2 (0.61) SLC6A2SLC6A4SLC6A3KMT2AMEN1

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
JP-2007511564-A 2007-05-10 JP claimed
EP-1685103-A1 3-AMINOPYRROLIDONE DERIVATIVES Newron Pharmaceuticals S.p.A. (IT) 2006-08-02 EP claimed
WO-2005054190-A1 3-AMINOPYRROLIDONE DERIVATIVES NEWRON PHARMACEUTICALS S.P.A. (IT) 2005-06-16 WO claimed