SCHEMBL4752749

SCHEMBL4752749

O=C(O)N1CCN(Cc2cccnc2Nc2cc(Cl)cc(Cl)c2)CC1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.46
PKM P14618 1/20 0.46
FAAH O00519 8/20 0.44
MAPT P10636 3/20 0.42
RAB9A P51151 3/20 0.42
NPC1 O15118 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
KDM4E B2RXH2 1/20 0.42
TSHR P16473 1/20 0.42
GRM4 Q14833 1/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
EGFR P00533 1/20 0.40
ERBB2 P04626 1/20 0.40
MPI P34949 1/20 0.40
HTT P42858 1/20 0.40
DHODH Q02127 1/20 0.40
APP P05067 2/20 0.40
GPR6 P46095 1/20 0.39

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
SCHEMBL13982544 0.87 NPSR1 (0.42) NPSR1PKMFAAHMAPTRAB9A
SCHEMBL4753314 0.85 NPSR1 (0.46) NPSR1PKMFAAHMAPTRAB9A
SCHEMBL4751031 0.85 POLB (0.49) NPSR1MAPTRAB9ANPC1KDM4E
SCHEMBL4753342 0.82 MAPT (0.49) NPSR1MAPTRAB9ANPC1SMN1; SMN2
SCHEMBL4754202 0.82 MAPT (0.44) NPSR1MAPTRAB9ANPC1KDM4E
SCHEMBL4750973 0.80 MAPT (0.45) NPSR1PKMMAPTRAB9ANPC1
SCHEMBL4750763 0.80 ADORA3 (0.44) NPSR1FAAHMAPTRAB9ANPC1
SCHEMBL13982676 0.80 TSHR (0.50) MAPTNPC1SMN1; SMN2KDM4ETSHR
SCHEMBL13982765 0.80 EPHX2 (0.45) SMN1; SMN2KDM4ETSHRHTT
SCHEMBL4751010 0.78 MAPT (0.44) NPSR1MAPTRAB9ANPC1SMN1; SMN2

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 claimed
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