SCHEMBL13367808

SCHEMBL13367808

Cc1cc(N2C[C@H](CN)OC2=O)cc(F)c1N1CCNN(Cc2cccnc2)CC1

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CALML3 P27482 6/20 0.39
GNRHR P30968 1/20 0.35
MAOA P21397 3/20 0.35
F10 P00742 1/20 0.34
GRM2 Q14416 1/20 0.34
GRM4 Q14833 1/20 0.33

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
SCHEMBL10152104 0.88 MAOA (0.48) CYP3A4CYP2D6CALML3MAOAF10
SCHEMBL13367839 0.86 MAOA (0.40) CYP3A4CYP2D6CALML3MAOAF10
SCHEMBL13357948 0.85 CALML3 (0.36) CYP3A4CALML3MAOAF10GRM2
SCHEMBL13358120 0.82 MAOA (0.42) CALML3MAOAF10GRM2
SCHEMBL10152106 0.81 MAOB (0.40) CYP3A4CYP2D6CALML3MAOAF10
SCHEMBL11983842 0.79 MAOA (0.50) CALML3MAOAF10
SCHEMBL13981014 0.78 CYP3A4 (0.39) CYP3A4CYP2D6CALML3MAOAF10
SCHEMBL10151840 0.77 MAOA (0.62) CALML3MAOAF10
SCHEMBL13368091 0.75 MAOB (0.45) CALML3MAOAF10
SCHEMBL10151842 0.74 MAOB (0.51) CALML3MAOAF10

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-2181993-A1 Antimicrobial oxazolidinone derivatives Research Foundation Itsuu Laboratory (JP) 2010-05-05 EP disclosed