SCHEMBL18059593

SCHEMBL18059593

CC(C)(C)OC(=O)N1CCN(c2c(F)cc(N3CC(CN)OC3=O)cc2F)CC1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAOA P21397 5/20 0.48
MAOB P27338 5/20 0.45
GPR119 Q8TDV5 2/20 0.41
LMNA P02545 2/20 0.40
PTGS1 P23219 1/20 0.40
CALML3 P27482 1/20 0.40
SDHA P31040 1/20 0.40
DPP4 P27487 1/20 0.40
F10 P00742 3/20 0.39
MMP2 P08253 1/20 0.39
MMP13 P45452 1/20 0.39
MMP14 P50281 1/20 0.39
ADAMTS5 Q9UNA0 1/20 0.39
USP30 Q70CQ3 1/20 0.39
ALDH1A1 P00352 1/20 0.38
MAPT P10636 1/20 0.38
HDAC6 Q9UBN7 1/20 0.37

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
SCHEMBL2480376 1.00 MAOA (0.48) MAOAMAOBGPR119LMNAPTGS1
SCHEMBL2450926 0.91 MAOA (0.47) MAOAMAOBGPR119LMNAPTGS1
SCHEMBL2507042 0.91 MAOA (0.47) MAOAMAOBGPR119LMNAPTGS1
SCHEMBL80077 0.89 MAOB (0.58) MAOAMAOBLMNAPTGS1CALML3
SCHEMBL3396418 0.89 MAOB (0.58) MAOAMAOBLMNAPTGS1CALML3
SCHEMBL2452754 0.87 MAOA (0.57) MAOAMAOBLMNAPTGS1CALML3
SCHEMBL7486020 0.87 MAOA (0.57) MAOAMAOBLMNAPTGS1CALML3
SCHEMBL2483101 0.86 MAOA (0.43) MAOAMAOBGPR119LMNAPTGS1
SCHEMBL2499941 0.86 MAOA (0.43) MAOAMAOBGPR119LMNAPTGS1
SCHEMBL2503390 0.86 MAOB (0.47) 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
EP-2367820-B1 NOVEL ANTIMICROBIAL AGENTS PANACEA BIOTEC LTD (IN) 2016-09-21 EP disclosed