SCHEMBL4435968

SCHEMBL4435968

O=C(O)NC[C@@H]1OC(=O)N2c3cc(F)c(C4CC[C@@H](O)[C@@H](O)C4)cc3C[C@@H]12

nearest known ligand 0.40

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.40
MAOB P27338 1/20 0.40
CYP2C19 P33261 1/20 0.40
F10 P00742 7/20 0.32

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
SCHEMBL14069809 0.92 MAOB (0.49) MAOAMAOBCYP2C19F10
SCHEMBL9930197 0.92 MAOB (0.49) MAOAMAOBCYP2C19F10
SCHEMBL14069671 0.92 MAOB (0.49) MAOAMAOBCYP2C19F10
SCHEMBL9968807 0.90 MAOA (0.40) MAOAMAOBCYP2C19F10
SCHEMBL9930513 0.90 MAOA (0.40) MAOAMAOBCYP2C19F10
SCHEMBL14069669 0.90 MAOA (0.40) MAOAMAOBCYP2C19F10
SCHEMBL14069815 0.90 MAOA (0.40) MAOAMAOBCYP2C19F10
SCHEMBL9930283 0.84 MAOA (0.32) MAOAMAOBCYP2C19
SCHEMBL9929883 0.81 MAOB (0.51) MAOAMAOBCYP2C19F10
SCHEMBL14069670 0.81 MAOA (0.36) MAOAMAOB

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2134721-A1 ANTIMICROBIAL HETEROCYCLIC COMPOUNDS FOR TREATMENT OF BACTERIAL INFECTIONS Micurx Pharmaceuticals, Inc. (US) 2009-12-23 EP disclosed
WO-2008108988-A1 ANTIMICROBIAL HETEROCYCLIC COMPOUNDS FOR TREATMENT OF BACTERIAL INFECTIONS MICURX PHARMACEUTICALS, INC. (US) 2008-09-12 WO disclosed