SCHEMBL6272285

SCHEMBL6272285

CC(=O)NC[C@H]1CN(c2ccc(N3CCN(C(=O)/C=C/C(=O)c4ccccc4)CC3)c(F)c2)C(=O)O1

nearest known ligand 0.66

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAOB P27338 6/20 0.66
MAOA P21397 5/20 0.66
PTGS1 P23219 2/20 0.66
SDHA P31040 2/20 0.66
LMNA P02545 1/20 0.66
CALML3 P27482 1/20 0.66
F10 P00742 6/20 0.52
TOP2B Q02880 1/20 0.51

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
SCHEMBL5949454 1.00 MAOB (0.66) MAOBMAOAPTGS1SDHALMNA
SCHEMBL5949458 1.00 MAOB (0.66) MAOBMAOAPTGS1SDHALMNA
SCHEMBL5949627 0.92 MAOB (0.63) MAOBMAOAPTGS1SDHALMNA
SCHEMBL5949724 0.91 MAOB (0.71) MAOBMAOAPTGS1SDHALMNA
SCHEMBL5949728 0.91 MAOB (0.71) MAOBMAOAPTGS1SDHALMNA
SCHEMBL5949736 0.91 MAOB (0.71) MAOBMAOAPTGS1SDHALMNA
SCHEMBL5949853 0.91 MAOB (0.62) MAOBMAOAPTGS1SDHALMNA
SCHEMBL5949851 0.91 MAOB (0.62) MAOBMAOAPTGS1SDHALMNA
SCHEMBL5949748 0.90 MAOB (0.70) MAOBMAOAPTGS1SDHALMNA
SCHEMBL5949743 0.90 MAOB (0.70) MAOBMAOAPTGS1SDHALMNA

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-1495021-A2 ANTIINFECTVE COMPOUNDS, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM CADILA HEALTHCARE LTD. (IN) 2005-01-12 EP disclosed
WO-2003082864-A2 ANTIINFECTVE COMPOUNDS, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM CADILA HEALTHCARE LIMITED (IN) 2003-10-09 WO disclosed