SCHEMBL469773

SCHEMBL469773

C=C1O[C@@H](CNc2ccon2)CN1c1ccc(-c2ccc(N3CCOC3=O)nc2)c(F)c1

nearest known ligand 0.53

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MAOA P21397 10/20 0.53
CYP2E1 P05181 1/20 0.42
MAOB P27338 2/20 0.42
CALML3 P27482 6/20 0.41
CYP2C19 P33261 2/20 0.40
CYP2C9 P11712 1/20 0.40
CYP3A4 P08684 1/20 0.40

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
SCHEMBL463294 0.94 MAOA (0.60) MAOACYP2E1MAOBCALML3CYP2C19
SCHEMBL463290 0.85 MAOA (0.52) MAOACYP2E1MAOBCALML3CYP2C19
SCHEMBL463398 0.83 MAOA (0.60) MAOACYP2E1MAOBCALML3CYP2C19
SCHEMBL12964763 0.83 MAOA (0.61) MAOACYP2E1MAOBCALML3CYP2C19
SCHEMBL15830322 0.83 MAOA (0.61) MAOACYP2E1MAOBCALML3CYP2C19
SCHEMBL463295 0.83 MAOA (0.60) MAOACYP2E1MAOBCALML3CYP2C19
SCHEMBL463586 0.82 MAOA (0.48) MAOACYP2E1
SCHEMBL463412 0.82 CYP2E1 (0.51) MAOACYP2E1MAOBCALML3CYP2C19
SCHEMBL15830205 0.81 MAOA (0.58) MAOACYP2E1MAOBCALML3CYP2C19
SCHEMBL12964777 0.81 MAOA (0.58) MAOACYP2E1MAOBCALML3CYP2C19

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