SCHEMBL4753315

SCHEMBL4753315

COc1ccc(C(=O)N2CCN(Cc3cccnc3NCc3ccc(Cl)cc3)CC2)c(OC)c1

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPK10 P53779 1/20 0.50
WNK1 Q9H4A3 1/20 0.49
TSHR P16473 1/20 0.49
TACR2 P21452 1/20 0.47
TACR1 P25103 1/20 0.47
TACR3 P29371 1/20 0.47
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.45
GAA P10253 2/20 0.45
KDM4E B2RXH2 3/20 0.45
ALDH1A1 P00352 3/20 0.45
MAPT P10636 2/20 0.45
MCHR1 Q99705 1/20 0.45
HTT P42858 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
LMNA P02545 1/20 0.44

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
SCHEMBL13982579 0.93 KDM4E (0.52) MAPK10MEN1KMT2ASMN1; SMN2GAA
SCHEMBL13982678 0.87 APP (0.47) TSHRMEN1KMT2ASMN1; SMN2GAA
SCHEMBL13982545 0.85 MEN1 (0.46) MAPK10TSHRMEN1KMT2ASMN1; SMN2
SCHEMBL13982676 0.85 TSHR (0.50) TSHRMEN1KMT2ASMN1; SMN2GAA
SCHEMBL4752731 0.83 MEN1 (0.47) MEN1KMT2ASMN1; SMN2GAAKDM4E
SCHEMBL13982738 0.83 ALDH1A1 (0.58) MEN1KMT2ASMN1; SMN2KDM4EALDH1A1
SCHEMBL4751009 0.81 APP (0.50) MAPK10SMN1; SMN2GAAKDM4EALDH1A1
SCHEMBL13982677 0.80 MEN1 (0.44) TSHRMEN1KMT2ASMN1; SMN2GAA
SCHEMBL4750732 0.80 MEN1 (0.54) TSHRMEN1KMT2ASMN1; SMN2GAA
SCHEMBL4788878 0.79 OXTR (0.45) TSHRMEN1KMT2ASMN1; SMN2GAA

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
WO-2008147864-A2 METHODS OF USING PIPERAZINE COMPOUNDS IN TREATING SODIUM CHANNEL-MEDIATED DISEASES OR CONDITIONS XENON PHARMACEUTICALS INC. (CA) 2008-12-04 WO disclosed
WO-2008147864-A2 METHODS OF USING PIPERAZINE COMPOUNDS IN TREATING SODIUM CHANNEL-MEDIATED DISEASES OR CONDITIONS XENON PHARMACEUTICALS INC. (CA) 2008-12-04 WO disclosed