SCHEMBL4750792

SCHEMBL4750792

Cc1cccc(CCCOCCOC(=O)N2CCN(C(=O)c3cccnc3Cl)CC2)n1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.52
CYP2C19 P33261 2/20 0.51
PPARG P37231 1/20 0.39
THRB P10828 1/20 0.39
MAPT P10636 3/20 0.39
LMNA P02545 2/20 0.39
ALDH1A1 P00352 5/20 0.38
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
TSHR P16473 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
KDM4E B2RXH2 2/20 0.38
RAB9A P51151 1/20 0.37
GABRA1 P14867 1/20 0.37
GABRG2 P18507 1/20 0.37
GABRB3 P28472 1/20 0.37
GABRA5 P31644 1/20 0.37
GABRA3 P34903 1/20 0.37
GABRA2 P47869 1/20 0.37
CCR6 P51684 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
SCHEMBL4750996 0.86 ALDH1A1 (0.45) POLBCYP2C19MAPTLMNAALDH1A1
SCHEMBL4751021 0.85 SMN1; SMN2 (0.38) POLBCYP2C19PPARGMAPTLMNA
SCHEMBL4753294 0.81 CYP2C19 (0.43) POLBCYP2C19PPARGMAPTLMNA
SCHEMBL4753147 0.79 ALDH1A1 (0.45) POLBPPARGMAPTLMNAALDH1A1
SCHEMBL4750797 0.78 GRM5 (0.41) POLBCYP2C19PPARGMAPTALDH1A1
SCHEMBL4751002 0.78 ALDH1A1 (0.47) ALDH1A1KMT2ATSHRL3MBTL1KDM4E
SCHEMBL4751028 0.76 ALDH1A1 (0.45) POLBMAPTALDH1A1KMT2ATSHR
SCHEMBL4753292 0.76 CYP2C19 (0.41) POLBCYP2C19PPARGTHRBMAPT
SCHEMBL4751026 0.76 MAPT (0.41) POLBCYP2C19MAPTALDH1A1MEN1
SCHEMBL4750772 0.75 ALDH1A1 (0.45) POLBPPARGMAPTLMNAALDH1A1

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