SCHEMBL4752188

SCHEMBL4752188

CC(=O)NCC1CN(c2ccc(-c3nc(CC#N)c[nH]3)c(F)c2)C(=O)O1

nearest known ligand 0.60

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MAOA P21397 6/20 0.59
CALML3 P27482 4/20 0.53
MAOB P27338 2/20 0.53
PTGS1 P23219 2/20 0.53
SDHA P31040 2/20 0.53
LMNA P02545 1/20 0.53
F10 P00742 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
SCHEMBL8822101 0.91 MAOA (0.63) MAOACALML3MAOBPTGS1SDHA
SCHEMBL8102119 0.90 MAOA (0.62) MAOACALML3MAOBPTGS1SDHA
SCHEMBL4753020 0.90 MAOA (0.62) MAOACALML3MAOBPTGS1SDHA
SCHEMBL8117437 0.89 MAOA (0.61) MAOACALML3MAOBPTGS1SDHA
SCHEMBL8110969 0.89 MAOA (0.61) MAOACALML3MAOBPTGS1SDHA
SCHEMBL8822058 0.88 MAOA (0.60) MAOACALML3MAOBPTGS1SDHA
SCHEMBL8822054 0.88 MAOA (0.63) MAOACALML3MAOBPTGS1SDHA
SCHEMBL8822095 0.87 MAOA (0.69) MAOACALML3MAOBPTGS1SDHA
SCHEMBL4750327 0.86 MAOA (0.58) MAOACALML3MAOBPTGS1SDHA
SCHEMBL8111029 0.85 MAOA (0.57) MAOACALML3MAOBPTGS1SDHA

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