SCHEMBL4753294

SCHEMBL4753294

Cc1cccc(CCCOCCC2CN(C(=O)c3cccnc3Cl)CCN2C(=O)O)n1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 1/20 0.43
POLB P06746 1/20 0.40
FNTA P49354 7/20 0.39
FNTB P49356 6/20 0.39
MGLL Q99685 4/20 0.37
PPARG P37231 1/20 0.36
GABRA1 P14867 1/20 0.35
GABRG2 P18507 1/20 0.35
GABRB3 P28472 1/20 0.35
GABRA5 P31644 1/20 0.35
GABRA3 P34903 1/20 0.35
GABRA2 P47869 1/20 0.35
PDE2A O00408 2/20 0.34
PGGT1B P53609 1/20 0.34
HSD11B1 P28845 1/20 0.34
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33

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
SCHEMBL4753292 0.83 CYP2C19 (0.41) CYP2C19POLBMGLLPPARGGABRA1
SCHEMBL4750792 0.81 POLB (0.52) CYP2C19POLBPPARGGABRA1GABRG2
SCHEMBL4750996 0.70 ALDH1A1 (0.45) CYP2C19POLBLMNAMAPT
SCHEMBL4751021 0.69 SMN1; SMN2 (0.38) CYP2C19POLBPPARGLMNAMAPT
SCHEMBL8576502 0.66 PARP1 (0.50) POLBFNTAFNTBMGLL
SCHEMBL1976542 0.65 POLB (0.65) CYP2C19POLBLMNAMAPT
SCHEMBL4751002 0.64 ALDH1A1 (0.47)
SCHEMBL4287420 0.64 S1PR4 (0.38) FNTAFNTBLMNA
SCHEMBL4753147 0.63 ALDH1A1 (0.45) POLBPPARGLMNAMAPT
SCHEMBL4290228 0.63 MAPT (0.51) LMNAMAPT

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 1 patent. 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