SCHEMBL4750338

SCHEMBL4750338

O=C(O)N(S)CC1CN(c2ccc(-c3nc(Cn4cccn4)c[nH]3)c(F)c2)C(=O)O1

nearest known ligand 0.42

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CALML3 P27482 3/20 0.42
MAOA P21397 15/20 0.42
CYP3A4 P08684 3/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.37

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
SCHEMBL4750353 0.87 MAOA (0.48) CALML3MAOACYP3A4CYP2D6
SCHEMBL4753830 0.86 CALML3 (0.45) CALML3MAOACYP3A4CYP2D6
SCHEMBL4812471 0.85 MAOA (0.45) CALML3MAOACYP3A4CYP2D6
SCHEMBL4752251 0.83 CALML3 (0.42) CALML3MAOACYP3A4CYP2D6
SCHEMBL3749849 0.82 CALML3 (0.44) CALML3MAOACYP3A4CYP2D6
SCHEMBL4750500 0.81 MAOA (0.45) CALML3MAOACYP3A4CYP2D6
SCHEMBL3747833 0.81 MAOB (0.43) CALML3MAOACYP3A4CYP2D6
SCHEMBL3759943 0.80 MAOB (0.42) CALML3MAOACYP3A4CYP2D6
SCHEMBL3747601 0.76 CALML3 (0.44) CALML3MAOACYP3A4CYP2D6
SCHEMBL3747606 0.76 CALML3 (0.44) CALML3MAOACYP3A4CYP2D6

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-2008143649-A2 NOVEL OXAZOLIDINONE COMPOUNDS AS ANTIINFECTIVE AGENTS DR. REDDY'S LABORATORIES LIMITED (IN) 2008-11-27 WO disclosed