SCHEMBL9913849

SCHEMBL9913849

N[C@H]1C[C@@H](Oc2ccc(Cl)cc2)C1

nearest known ligand 0.59

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 7/20 0.59
SLC6A2 P23975 5/20 0.59
SLC6A3 Q01959 5/20 0.59
MAOA P21397 1/20 0.43
MAOB P27338 1/20 0.43
BCL2A1 Q16548 5/20 0.43
BID P55957 1/20 0.41
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
MAPT P10636 1/20 0.37
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA9 Q16790 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
SCHEMBL9913891 1.00 SLC6A4 (0.59) SLC6A4SLC6A2SLC6A3MAOAMAOB
Hydrochloric Acid SCHEMBL9277967 0.98 SLC6A4 (0.58) SLC6A4SLC6A2SLC6A3MAOAMAOB
Hydrochloric Acid SCHEMBL9277971 0.98 SLC6A4 (0.58) SLC6A4SLC6A2SLC6A3MAOAMAOB
SCHEMBL15573563 0.82 SLC6A4 (0.53) SLC6A4SLC6A2SLC6A3MAOAMAOB
SCHEMBL13478355 0.82 SLC6A4 (0.53) SLC6A4SLC6A2SLC6A3MAOAMAOB
SCHEMBL23951657 0.79 TEAD4 (0.43) SLC6A4SLC6A2SLC6A3MAOAMAOB
SCHEMBL16622980 0.79 MAPT (0.43) SLC6A4SLC6A2SLC6A3MAOAMAOB
SCHEMBL23951609 0.79 KDM1A (0.42) SLC6A4SLC6A2SLC6A3
SCHEMBL30230283 0.79 TEAD4 (0.43) SLC6A4SLC6A2SLC6A3MAOAMAOB
SCHEMBL16761863 0.79 SLC6A4 (0.54) SLC6A4SLC6A2SLC6A3MAOAMAOB

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