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SCHEMBL1033532

SCHEMBL1033532

CC(=O)NC[C@H]1CN(c2ccc(-c3ccc(CN[C@H](C)c4cnn[nH]4)nc3)c(F)c2)C(=O)O1

nearest known ligand 0.57

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ MAOA P21397 13/20 0.52
▸ CYP3A4 P08684 1/20 0.48
▸ CYP2C19 P33261 1/20 0.48
▸ MAOB P27338 2/20 0.48
▸ LMNA P02545 1/20 0.48
▸ PTGS1 P23219 1/20 0.48
▸ CALML3 P27482 1/20 0.48
▸ SDHA P31040 1/20 0.48

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
SCHEMBL13150711 1.00 MAOA (0.52) MAOACYP3A4CYP2C19MAOBLMNA
SCHEMBL1037132 0.91 MAOA (0.54) MAOACYP3A4CYP2C19MAOBLMNA
SCHEMBL10197587 0.91 MAOA (0.54) MAOACYP3A4CYP2C19MAOBLMNA
SCHEMBL3185665 0.86 MAOA (0.54) MAOACYP3A4CYP2C19MAOBLMNA
SCHEMBL1036787 0.86 MAOA (0.54) MAOACYP3A4CYP2C19MAOBLMNA
SCHEMBL1393051 0.85 MAOA (0.56) MAOACYP3A4CYP2C19MAOBLMNA
SCHEMBL1036057 0.85 MAOA (0.47) MAOAMAOBLMNAPTGS1CALML3
SCHEMBL12956120 0.85 MAOA (0.47) MAOAMAOBLMNAPTGS1CALML3
SCHEMBL13150707 0.84 MAOA (0.52) MAOACYP3A4CYP2C19MAOBLMNA
SCHEMBL13150712 0.83 MAOA (0.54) MAOACYP3A4CYP2C19MAOBLMNA

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-1904489-B1 PROCESS FOR THE SYNTHESIS OF TRIAZOLES RIB X PHARMACEUTICALS INC (US) 2011-01-26 — — EP disclosed