SCHEMBL10069650

SCHEMBL10069650

C=C1O[C@@H](CNC(=O)OC)CN1c1ccc(-c2ccc(N3CCNC3=O)nc2)c(F)c1

nearest known ligand 0.46

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MAOA P21397 11/20 0.43
CALML3 P27482 3/20 0.43
MAOB P27338 1/20 0.42
TDO2 P48775 1/20 0.42
CYP3A4 P08684 1/20 0.41
CYP2C19 P33261 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
SCHEMBL463740 0.93 CALML3 (0.51) MAOACALML3MAOBCYP3A4CYP2C19
SCHEMBL469913 0.83 CALML3 (0.44) MAOACALML3MAOBTDO2CYP2C19
SCHEMBL463725 0.82 MAOA (0.50) MAOACALML3MAOBCYP3A4CYP2C19
SCHEMBL463249 0.82 TDO2 (0.41) MAOACALML3MAOBTDO2
SCHEMBL463272 0.81 F10 (0.53) MAOACALML3MAOBCYP3A4CYP2C19
SCHEMBL463557 0.81 MAOA (0.49) MAOACALML3MAOBCYP3A4CYP2C19
SCHEMBL463591 0.81 MAOA (0.49) MAOACALML3MAOBCYP3A4CYP2C19
SCHEMBL12964788 0.80 CALML3 (0.48) MAOACALML3MAOBCYP3A4CYP2C19
SCHEMBL4168134 0.80 MAOA (0.58) MAOACALML3MAOBCYP3A4CYP2C19
SCHEMBL4168138 0.80 MAOA (0.58) MAOACALML3MAOBCYP3A4CYP2C19

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-2012033952-A1 3 - PHENYL- 2 -OXO- 1, 3 -OXAZOLIDINES FOR TREATMENT OF BACTERIAL INFECTIONS MICURX PHARMACEUTICALS, INC. (KY) 2012-03-15 WO disclosed