SCHEMBL4739008

SCHEMBL4739008

Cc1ccc(C(=O)N2CCC(O)(c3ccc(Br)cc3)CC2)cc1[N+](=O)[O-].Cc1ccc(C(=O)N2CCC(O)(c3ccc(C#N)cc3)CC2)cc1N

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.47
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
CA7 P43166 1/20 0.47
CA9 Q16790 1/20 0.47
CA14 Q9ULX7 1/20 0.47
GAA P10253 2/20 0.47
ALDH1A1 P00352 3/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
HSP90AA1 P07900 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
FASN P49327 13/20 0.42
HTT P42858 1/20 0.41
LMNA P02545 1/20 0.41
KDM1A O60341 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
SCHEMBL4179233 0.90 GAA (0.56) GAAALDH1A1SMN1; SMN2HSP90AA1L3MBTL1
SCHEMBL4180444 0.88 GAA (0.60) CA12CA1CA2CA7CA9
SCHEMBL4183554 0.87 FASN (0.49) FASNKDM1A
SCHEMBL4199044 0.84 CA12 (0.61) CA12CA1CA2CA7CA9
SCHEMBL14162053 0.76 KDM4E (0.52) CA12CA1CA2CA7CA9
SCHEMBL14161742 0.75 OPRM1 (0.42) FASNKDM1A
SCHEMBL4198155 0.69 FASN (0.65) FASN
SCHEMBL30010047 0.68 FASN (0.64) FASN
SCHEMBL4168210 0.68 FASN (0.64) FASN
SCHEMBL29601441 0.68 GAA (0.72) GAAALDH1A1SMN1; SMN2HSP90AA1L3MBTL1

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-2008075064-A1 PIPERIDINE DERIVATIVES FOR THE TREATMENT OF OBESITY ASTRAZENECA AB (SE) 2008-06-26 WO disclosed