SCHEMBL8488289

SCHEMBL8488289

Nc1cccc(CCC2CO2)c1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAOA P21397 2/20 0.53
MAOB P27338 2/20 0.53
CYP19A1 P11511 1/20 0.52
TAAR1 Q96RJ0 2/20 0.43
SIGMAR1 Q99720 2/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
GRM2 Q14416 1/20 0.40
GRM3 Q14832 1/20 0.40
SLC6A2 P23975 1/20 0.40
SLC6A4 P31645 1/20 0.40
SLC6A3 Q01959 1/20 0.40
PARP1 P09874 1/20 0.40
SPHK2 Q9NRA0 1/20 0.38
SPHK1 Q9NYA1 1/20 0.38

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
SCHEMBL10035030 0.81 MAOA (0.52) MAOAMAOBCYP19A1TAAR1SIGMAR1
SCHEMBL29432882 0.79 TAAR1 (0.57) TAAR1SIGMAR1MEN1KMT2A
SCHEMBL3061311 0.79 TAAR1 (0.52) TAAR1MEN1KMT2AGRM2GRM3
SCHEMBL1499422 0.79 TAAR1 (0.57) TAAR1SIGMAR1MEN1KMT2A
SCHEMBL22170215 0.78 MAOB (0.57) MAOAMAOBCYP19A1SIGMAR1GRM2
SCHEMBL24137898 0.77 MEN1 (0.62) TAAR1MEN1KMT2ASLC6A2SLC6A4
SCHEMBL2077308 0.77 MEN1 (0.62) TAAR1MEN1KMT2ASLC6A2SLC6A4
SCHEMBL52143 0.77 MEN1 (0.62) TAAR1MEN1KMT2ASLC6A2SLC6A4
SCHEMBL2154372 0.76 MAOB (0.86) MAOAMAOBCYP19A1SIGMAR1PARP1
SCHEMBL29436994 0.76 MAOB (0.86) MAOAMAOBCYP19A1SIGMAR1PARP1

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
US-5936104-A Process for producing 1,2-epoxy-3-amino-4-phenylbutane derivatives KANEKA CORPORATION (JP) 1999-08-10 US claimed