SCHEMBL8339574

SCHEMBL8339574

CC(=O)NC[C@H]1CN(c2ccc3c(c2)Cc2cc(-c4cccnc4)ccc2-3)C(=O)O1

nearest known ligand 0.58

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAOA P21397 5/20 0.51
CYP3A4 P08684 1/20 0.49
CYP2D6 P10635 1/20 0.49
CALML3 P27482 4/20 0.48
MAOB P27338 2/20 0.48
PTGS1 P23219 2/20 0.48
SDHA P31040 2/20 0.48
LMNA P02545 1/20 0.48
ABCB11 O95342 1/20 0.43
F10 P00742 1/20 0.41

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
SCHEMBL8342851 0.92 CYP3A4 (0.47) MAOACYP3A4CYP2D6CALML3MAOB
SCHEMBL8339618 0.89 CYP3A4 (0.45) MAOACYP3A4CYP2D6CALML3MAOB
SCHEMBL10423881 0.87 ABCB11 (0.51) MAOACYP3A4CYP2D6CALML3MAOB
SCHEMBL21324902 0.87 ABCB11 (0.51) MAOACYP3A4CYP2D6CALML3MAOB
SCHEMBL7938096 0.86 MAOA (0.54) MAOACYP3A4CYP2D6CALML3MAOB
SCHEMBL8484607 0.86 MAOA (0.66) MAOACYP3A4CYP2D6CALML3MAOB
SCHEMBL7949645 0.86 MAOA (0.66) MAOACYP3A4CYP2D6CALML3MAOB
SCHEMBL7945883 0.85 MAOA (0.54) MAOACYP3A4CYP2D6CALML3MAOB
SCHEMBL10435848 0.85 MAOA (0.50) MAOACYP3A4CYP2D6CALML3MAOB
Hydrochloric Acid SCHEMBL8338829 0.84 CYP3A4 (0.51) MAOACYP3A4CYP2D6CALML3F10

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-1999003846-A1 TRICYCLICALLY SUBSTITUTED OXAZOLIDINONES BAYER AKTIENGESELLSCHAFT (DE) 1999-01-28 WO disclosed