SCHEMBL7833867

SCHEMBL7833867

CC(=O)NC[C@H]1CN(c2ccc(N3C[C@H]4CN(C(=O)OCc5ccccc5)C[C@H]43)c(F)c2)C(=O)O1

nearest known ligand 0.57

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAOA P21397 6/20 0.57
MAOB P27338 5/20 0.57
PTGS1 P23219 2/20 0.57
SDHA P31040 2/20 0.57
LMNA P02545 1/20 0.57
CALML3 P27482 1/20 0.57
F10 P00742 2/20 0.45
TOP2B Q02880 1/20 0.44

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
SCHEMBL7833872 1.00 MAOA (0.57) MAOAMAOBPTGS1SDHALMNA
SCHEMBL7833227 0.92 MAOA (0.61) MAOAMAOBPTGS1SDHALMNA
SCHEMBL7830546 0.89 MAOA (0.64) MAOAMAOBPTGS1SDHALMNA
SCHEMBL9055375 0.89 MAOA (0.64) MAOAMAOBPTGS1SDHALMNA
SCHEMBL7830550 0.89 MAOA (0.64) MAOAMAOBPTGS1SDHALMNA
SCHEMBL7830553 0.89 MAOA (0.64) MAOAMAOBPTGS1SDHALMNA
SCHEMBL9055370 0.89 MAOA (0.64) MAOAMAOBPTGS1SDHALMNA
SCHEMBL5323788 0.88 MAOB (0.67) MAOAMAOBPTGS1SDHALMNA
SCHEMBL1498671 0.88 MAOB (0.67) MAOAMAOBPTGS1SDHALMNA
SCHEMBL7834203 0.86 MAOA (0.59) MAOAMAOBPTGS1SDHALMNA

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-0828741-B1 SPIROCYCLIC AND BICYCLIC DIAZINYL AND CARBAZINYL OXAZOLIDINONES UPJOHN CO (US) 2001-08-29 EP disclosed
US-6090820-A MICROBIOCIDES, BATERICIDES PHARMACIA & UPJOHN COMPANY (US) 2000-07-18 US disclosed