SCHEMBL30817028

SCHEMBL30817028

O=C1O[C@@H](CNc2ccon2)CN1c1ccc(N2CCN(C3COC3)CC2)c(F)c1

nearest known ligand 0.59

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAOA P21397 6/20 0.59
CYP2E1 P05181 1/20 0.52
MAOB P27338 11/20 0.51
LMNA P02545 1/20 0.51
PTGS1 P23219 1/20 0.51
CALML3 P27482 1/20 0.51
SDHA P31040 1/20 0.51
F10 P00742 7/20 0.46

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
SCHEMBL27314349 1.00 MAOA (0.59) MAOACYP2E1MAOBLMNAPTGS1
SCHEMBL27314353 1.00 MAOA (0.59) MAOACYP2E1MAOBLMNAPTGS1
SCHEMBL30817026 1.00 MAOA (0.59) MAOACYP2E1MAOBLMNAPTGS1
SCHEMBL30817033 1.00 MAOA (0.59) MAOACYP2E1MAOBLMNAPTGS1
SCHEMBL30817019 1.00 MAOA (0.59) MAOACYP2E1MAOBLMNAPTGS1
SCHEMBL30817027 0.90 MAOA (0.56) MAOACYP2E1MAOBLMNAPTGS1
SCHEMBL27314190 0.90 MAOA (0.56) MAOACYP2E1MAOBLMNAPTGS1
SCHEMBL27314185 0.90 MAOA (0.56) MAOACYP2E1MAOBLMNAPTGS1
SCHEMBL5833650 0.89 MAOB (0.65) MAOACYP2E1MAOBLMNAPTGS1
SCHEMBL5833644 0.89 MAOB (0.65) MAOACYP2E1MAOBLMNAPTGS1

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
WO-2024069378-A1 NOVEL COMPOUNDS FOR THE TREATMENT OF MAMMALIAN INFECTIONS ZYDUS LIFESCIENCES LIMITED (IN) 2024-04-04 WO claimed
WO-2024069378-A1 NOVEL COMPOUNDS FOR THE TREATMENT OF MAMMALIAN INFECTIONS ZYDUS LIFESCIENCES LIMITED (IN) 2024-04-04 WO disclosed