SCHEMBL27976149

SCHEMBL27976149

CO[C@@H]1CCCN1S(=O)(=O)c1ccc(Br)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 3/20 0.50
HCRTR2 O43614 3/20 0.50
LMNA P02545 2/20 0.46
HTT P42858 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
GHSR Q92847 1/20 0.45
MMP1 P03956 5/20 0.44
MMP3 P08254 5/20 0.44
MMP7 P09237 4/20 0.44
MMP13 P45452 3/20 0.44
MMP2 P08253 3/20 0.44
MMP9 P14780 2/20 0.44
TRPA1 O75762 1/20 0.43
PSEN1 P49768 1/20 0.43
PSEN2 P49810 1/20 0.43
APH1B Q8WW43 1/20 0.43
NCSTN Q92542 1/20 0.43
APH1A Q96BI3 1/20 0.43
PSENEN Q9NZ42 1/20 0.43
ALDH1A1 P00352 1/20 0.41

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
SCHEMBL27976150 1.00 HCRTR1 (0.50) HCRTR1HCRTR2LMNAHTTSMN1; SMN2
SCHEMBL27758830 0.96 GHSR (0.50) HCRTR1HCRTR2LMNAHTTGHSR
SCHEMBL7981443 0.87 MAPK1 (0.52) LMNAHTTALDH1A1MAPT
SCHEMBL28242970 0.85 TRPA1 (0.61) LMNASMN1; SMN2TRPA1ALDH1A1MAPT
SCHEMBL28243001 0.85 TRPA1 (0.61) LMNASMN1; SMN2TRPA1ALDH1A1MAPT
SCHEMBL28831491 0.82 L3MBTL1 (0.51) HCRTR1HCRTR2LMNASMN1; SMN2TRPA1
SCHEMBL6842733 0.82 PSEN1 (0.50) HTTMMP1MMP3MMP7MMP13
SCHEMBL18065224 0.80 PSEN1 (0.66) HCRTR1HCRTR2LMNAHTTSMN1; SMN2
SCHEMBL18065225 0.80 PSEN1 (0.66) HCRTR1HCRTR2LMNAHTTSMN1; SMN2
SCHEMBL3115162 0.79 HCRTR1 (0.62) HCRTR1HCRTR2SMN1; SMN2GHSRMMP1

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-104364246-A Piperidine derivatives useful as GPR119 agonists TOYOTA MOTOR CO LTD 2015-02-18 CN disclosed