SCHEMBL4458271

SCHEMBL4458271

O=C(Nc1cccc(C2=CC=CCC2=S)c1)N[C@H]1[C@@H]2CN(c3ccc(F)cc3F)C[C@@H]21

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.39
GAA P10253 2/20 0.39
CNR1 P21554 3/20 0.37
ALDH1A1 P00352 2/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
KDM4E B2RXH2 1/20 0.36
MAPT P10636 1/20 0.36
PKM P14618 1/20 0.36
MAPK1 P28482 1/20 0.36
NPC1 O15118 5/20 0.36
RAB9A P51151 5/20 0.36
HTT P42858 1/20 0.36
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.36
EPHX2 P34913 1/20 0.35
NPY1R P25929 1/20 0.35
POLB P06746 2/20 0.35
CCKBR P32239 2/20 0.35
FGFR3 P22607 1/20 0.34
KDR P35968 1/20 0.34

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
SCHEMBL4457335 0.80 CNR1 (0.41) SMN1; SMN2GAACNR1MAPTNPC1
SCHEMBL4457337 0.80 CNR1 (0.41) SMN1; SMN2GAACNR1MAPTNPC1
SCHEMBL13783790 0.80 CNR1 (0.41) SMN1; SMN2GAACNR1MAPTNPC1
SCHEMBL13783923 0.78 CCR3 (0.47) SMN1; SMN2GAACNR1NPC1RAB9A
SCHEMBL4458269 0.78 CCR3 (0.47) SMN1; SMN2GAACNR1ALDH1A1KDM4E
SCHEMBL13783977 0.78 CCR3 (0.47) SMN1; SMN2GAACNR1ALDH1A1KDM4E
SCHEMBL4458275 0.78 CCR3 (0.47) SMN1; SMN2GAACNR1ALDH1A1KDM4E
SCHEMBL13783917 0.77 CNR1 (0.41) SMN1; SMN2GAACNR1ALDH1A1NPC1
SCHEMBL4456054 0.77 MEN1 (0.48) SMN1; SMN2CNR1ALDH1A1KDM4EMAPT
SCHEMBL4456059 0.77 MEN1 (0.48) SMN1; SMN2CNR1ALDH1A1KDM4EMAPT

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-2009090548-A2 3-AZABICYCLO [3.1.0] HEXANE DERIVATIVES AS VANILLOID RECEPTOR LIGANDS GLENMARK PHARMACEUTICALS, S.A. (US) 2009-07-23 WO disclosed