SCHEMBL28015704

SCHEMBL28015704

[CH2][C@@](C)(O)CN(C)c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 1/20 0.39
NR1H3 Q13133 1/20 0.39
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
CA12 O43570 2/20 0.39
CA2 P00918 2/20 0.39
CA9 Q16790 2/20 0.39
CYP2C19 P33261 2/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
TAAR1 Q96RJ0 2/20 0.35
ALDH1A1 P00352 3/20 0.35
TSHR P16473 2/20 0.35
ESR1 P03372 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
HTT P42858 1/20 0.34
FAAH O00519 1/20 0.34
PHGDH O43175 1/20 0.34
MGLL Q99685 1/20 0.34

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
SCHEMBL11556871 0.83 MEN1 (0.41) NR1H2NR1H3MEN1KMT2ASMN1; SMN2
SCHEMBL28015066 0.81 MEN1 (0.41) MEN1KMT2AALDH1A1HSD17B10LMNA
SCHEMBL10159871 0.79 CA12 (0.44) NR1H2NR1H3MEN1KMT2ASMN1; SMN2
SCHEMBL4892428 0.76 CA12 (0.43) NR1H2NR1H3MEN1KMT2ASMN1; SMN2
SCHEMBL6699279 0.75 TAAR1 (0.45) MEN1KMT2ASMN1; SMN2CA12CA2
SCHEMBL27629539 0.73 CARM1 (0.47) SMN1; SMN2CA12CA9CYP3A4ALDH1A1
SCHEMBL6258041 0.72 CA12 (0.42) NR1H2NR1H3MEN1KMT2ACA12
SCHEMBL10547015 0.72 SMN1; SMN2 (0.43) NR1H2NR1H3MEN1KMT2ASMN1; SMN2
SCHEMBL22781056 0.71 SIGMAR1 (0.37) MEN1KMT2ASMN1; SMN2CA12CA2
SCHEMBL28131828 0.69 NR1H3 (0.44) NR1H2NR1H3MEN1KMT2ACA12

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-102532162-B 2,3-dihydro-6-nitroimidazo[2,1-b]oxazoles OTSUKA PHARMA CO LTD 2015-05-27 CN disclosed