SCHEMBL4711078

SCHEMBL4711078

Cc1ccccc1CCN(C)C1CN(C(=O)O)C1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.42
HTR2A P28223 1/20 0.40
AGTR2 P50052 2/20 0.40
KDM4E B2RXH2 3/20 0.39
LMNA P02545 1/20 0.39
POLB P06746 1/20 0.39
MAPT P10636 1/20 0.39
KMT2A Q03164 3/20 0.39
ALDH1A1 P00352 3/20 0.38
MEN1 O00255 2/20 0.38
GAA P10253 1/20 0.38
ATM Q13315 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
MBTPS1 Q14703 1/20 0.38
S1PR1 P21453 1/20 0.37
S1PR5 Q9H228 1/20 0.37
EPHX2 P34913 1/20 0.37
TAAR1 Q96RJ0 1/20 0.37

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
SCHEMBL4713293 0.86 TAAR1 (0.49) L3MBTL1HTR2AAGTR2MBTPS1TAAR1
SCHEMBL1968535 0.79 HTR2A (0.55) HTR2AKDM4EMBTPS1TAAR1
SCHEMBL4714391 0.76 SMN1; SMN2 (0.44) L3MBTL1KDM4EMAPTKMT2AALDH1A1
SCHEMBL4716650 0.75 TP53 (0.42) KDM4ELMNAPOLBMAPTKMT2A
SCHEMBL4715365 0.75 AGTR2 (0.47) L3MBTL1AGTR2TAAR1
SCHEMBL144125 0.75 KMT2A (0.51) AGTR2KMT2A
SCHEMBL29056938 0.75 L3MBTL1 (0.66) L3MBTL1AGTR2POLBKMT2AALDH1A1
SCHEMBL4710684 0.74 PDE2A (0.41)
SCHEMBL28550033 0.72 HRH3 (0.35) L3MBTL1MAPT
SCHEMBL27544931 0.70 CHIA (0.52) L3MBTL1AGTR2POLBKMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1933830-A1 ANTAGONISTS OF SNS SODIUM CHANNELS Vernalis (R&D) Limited (GB) 2008-06-25 EP disclosed
WO-2007007057-A1 ANTAGONISTS OF SNS SODIUM CHANNELS VERNALIS (R & D) LIMITED (GB) 2007-01-18 WO disclosed