SCHEMBL9913822

SCHEMBL9913822

Cc1c(F)cccc1O[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
KDM1A O60341 2/20 0.41
MAOB P27338 1/20 0.41
EPHX2 P34913 1/20 0.41
PIK3CD O00329 1/20 0.39
OXTR P30559 2/20 0.39
BTK Q06187 1/20 0.38
PIM1 P11309 1/20 0.37
PIM2 Q9P1W9 1/20 0.37
SSTR4 P31391 1/20 0.36
RORC P51449 1/20 0.36
CYP2D6 P10635 1/20 0.36
SLC6A2 P23975 1/20 0.36
SLC6A4 P31645 1/20 0.36
SLC6A3 Q01959 1/20 0.36
KAT6A Q92794 1/20 0.36
KAT5 Q92993 1/20 0.36
NFKB1 P19838 1/20 0.36
NFKB2 Q00653 1/20 0.36

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
SCHEMBL29874413 0.89 SLC6A2 (0.45) KMT2AL3MBTL1KDM1AMAOBEPHX2
SCHEMBL9279121 0.85 OXTR (0.43) EPHX2OXTRSSTR4CYP2D6SLC6A2
SCHEMBL9279123 0.85 OXTR (0.43) EPHX2OXTRSSTR4CYP2D6SLC6A2
SCHEMBL29875175 0.82 KDM4D (0.43) KMT2AL3MBTL1KDM1AMAOBEPHX2
SCHEMBL9913834 0.80 DRD2 (0.49) KMT2AL3MBTL1KDM1AMAOBEPHX2
SCHEMBL9913653 0.80 DRD2 (0.49) KMT2AL3MBTL1KDM1AMAOBEPHX2
SCHEMBL9957209 0.79 BTK (0.50) KMT2AL3MBTL1KDM1AMAOBEPHX2
SCHEMBL29874623 0.79 PIK3CD (0.41) KMT2AL3MBTL1KDM1AMAOBEPHX2
SCHEMBL23951710 0.79 KDM1A (0.47) KMT2AL3MBTL1KDM1AMAOBEPHX2
SCHEMBL9913886 0.78 KMT2A (0.43) KMT2AL3MBTL1KDM1AMAOBEPHX2

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-2012072512-A1 N-CYCLOBUTYL-IMIDAZOPYRIDINE OR -PYRAZOLOPYRIDINE CARBOXAMIDES AS TRPV1 ANTAGONISTS GLAXO GROUP LIMITED (GB) 2012-06-07 WO disclosed