SCHEMBL28110356

SCHEMBL28110356

C[C@@H](C(N)=O)C1CN(c2cccc(N3CCOCC3)c2)C(=O)O1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 4/20 0.47
USP30 Q70CQ3 2/20 0.43
KMO O15229 1/20 0.43
MAOB P27338 6/20 0.43
LMNA P02545 1/20 0.43
PTGS1 P23219 1/20 0.43
CALML3 P27482 1/20 0.43
SDHA P31040 1/20 0.43
LRRK2 Q5S007 4/20 0.41
GRM2 Q14416 1/20 0.40
HTR6 P50406 1/20 0.40
CSF1R P07333 1/20 0.39
PDGFRA P16234 1/20 0.39
KCNQ3 O43525 1/20 0.39
KCNQ2 O43526 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP19A1 P11511 1/20 0.39
CYP2C9 P11712 1/20 0.39
KDM4E B2RXH2 1/20 0.39

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
SCHEMBL27481286 1.00 MAOA (0.47) MAOAUSP30KMOMAOBLMNA
SCHEMBL5571718 0.89 MAOA (0.41) MAOAMAOBCALML3GRM2HTR6
SCHEMBL12477511 0.84 MAOB (0.62) MAOAMAOBLMNAPTGS1CALML3
SCHEMBL27629080 0.84 MAOB (0.62) MAOAMAOBLMNAPTGS1CALML3
SCHEMBL12477860 0.84 MAOB (0.62) MAOAMAOBLMNAPTGS1CALML3
SCHEMBL27482757 0.83 MAOB (0.44) MAOAUSP30KMOMAOBLMNA
SCHEMBL8501013 0.82 FADS1 (0.53) MAOAMAOBLMNACALML3GRM2
SCHEMBL28109897 0.81 PIK3C3 (0.38) MAOAUSP30MAOBLMNAPTGS1
SCHEMBL8436019 0.81 GRM2 (0.46) MAOAMAOBGRM2
SCHEMBL28109789 0.81 MAOB (0.51) MAOAMAOBLMNAPTGS1CALML3

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-104364240-B A medicine for preventing or treating mycobacterial diseases 四川贝力克生物技术有限责任公司 2017-02-22 CN disclosed