SCHEMBL27701429

SCHEMBL27701429

CC1CN2CCCC2C1c1nc(-c2ccc(F)c(Cl)c2)cc(N2CCN(c3ncc(C(=O)O)cn3)CC2)n1

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 2/20 0.36
UCHL1 P09936 1/20 0.35
USP30 Q70CQ3 1/20 0.35
KMO O15229 2/20 0.35
MPL P40238 1/20 0.34
WDR5 P61964 1/20 0.34
FURIN P09958 1/20 0.33
AOC3 Q16853 1/20 0.33
HDAC2 Q92769 1/20 0.33
SCN9A Q15858 1/20 0.33
MALT1 Q9UDY8 1/20 0.33
OGA O60502 1/20 0.33
GRM5 P41594 2/20 0.32
CXCR3 P49682 1/20 0.32
PTPN11 Q06124 1/20 0.32
GRM2 Q14416 1/20 0.32

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
SCHEMBL28768832 0.91 MPL (0.42) MGLLMPLAOC3CXCR3
SCHEMBL27701424 0.83 CXCR3 (0.38) MPLAOC3SCN9ACXCR3
SCHEMBL27701427 0.81 GRM2 (0.35) MPLCXCR3GRM2
SCHEMBL27701415 0.79 SCN9A (0.34) MPLSCN9A
SCHEMBL27701488 0.79 HRH4 (0.35) UCHL1USP30PTPN11GRM2
SCHEMBL27701416 0.77 KMT2A (0.37) AOC3
SCHEMBL27682276 0.76 SCN9A (0.36) MPLSCN9ACXCR3
SCHEMBL27701423 0.75 PRKCB (0.34) HDAC2
SCHEMBL907961 0.75 KHK (0.39) MGLLMPLCXCR3
SCHEMBL907898 0.73 MPL (0.45) MPLAOC3CXCR3

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
CN-101014587-A Substituted biaryl piperazinyl-pyridine analogues NEUROGEN CORP (US) 2007-08-08 CN claimed