SCHEMBL6137598

SCHEMBL6137598

COc1ccc(C(=O)N(CCOc2ccccc2)C(=N)N)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 2/20 0.53
PARP10 Q53GL7 1/20 0.50
MAPT P10636 4/20 0.48
RAB9A P51151 2/20 0.48
KDM4E B2RXH2 1/20 0.47
HPGD P15428 1/20 0.47
MCHR1 Q99705 2/20 0.46
LMNA P02545 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
KCNH2 Q12809 1/20 0.46
PKM P14618 1/20 0.46
KCNA5 P22460 1/20 0.46
DRD3 P35462 1/20 0.46
MEN1 O00255 1/20 0.45
NPC1 O15118 1/20 0.45
ALDH1A1 P00352 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C9 P11712 1/20 0.45

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
SCHEMBL6137840 0.89 SCN5A (0.49) PARP10MAPTRAB9ALMNAL3MBTL1
SCHEMBL6137828 0.81 ACHE (0.56) RAB9AKDM4EHPGDL3MBTL1MEN1
SCHEMBL6003647 0.81 LPAR1 (0.53) MAPTRAB9AKDM4EHPGDL3MBTL1
SCHEMBL6137921 0.78 KDM4E (0.45) DRD2PARP10RAB9AKDM4EHPGD
Hydrochloric Acid SCHEMBL8767719 0.78 CA1 (0.45) DRD2PARP10MAPTKDM4EHPGD
SCHEMBL6138031 0.78 CA1 (0.45) DRD2PARP10KDM4EHPGDLMNA
SCHEMBL6137845 0.73 L3MBTL1 (0.52) PARP10MAPTRAB9AKDM4EHPGD
SCHEMBL6137717 0.73 ALOX12 (0.47) PARP10MAPTRAB9ALMNAL3MBTL1
SCHEMBL11876520 0.72 DRD2 (0.56) DRD2MAPTRAB9AKDM4EHPGD
SCHEMBL11555105 0.72 TDP1 (0.40) PARP10RAB9AKDM4ELMNAL3MBTL1

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-1032556-A4 PHARMACEUTICALLY ACTIVE COMPOUNDS AND METHODS OF USE CAMBRIDGE NEUROSCIENCE INC (US) 2005-02-02 EP claimed
EP-1032556-A1 PHARMACEUTICALLY ACTIVE COMPOUNDS AND METHODS OF USE CAMBRIDGE NEUROSCIENCE, INC. (US) 2000-09-06 EP claimed
WO-1999020599-A1 PHARMACEUTICALLY ACTIVE COMPOUNDS AND METHODS OF USE CAMBRIDGE NEUROSCIENCE, INC. (US) 1999-04-29 WO claimed