SCHEMBL8484607

SCHEMBL8484607

CC(=O)NC[C@H]1CN(c2ccc(-c3cccnc3)c(F)c2)C(=O)O1

nearest known ligand 0.71

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAOA P21397 6/20 0.66
CYP3A4 P08684 1/20 0.65
CYP2D6 P10635 1/20 0.65
CALML3 P27482 5/20 0.62
MAOB P27338 2/20 0.60
PTGS1 P23219 2/20 0.60
SDHA P31040 2/20 0.60
LMNA P02545 1/20 0.60

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
SCHEMBL7949645 1.00 MAOA (0.66) MAOACYP3A4CYP2D6CALML3MAOB
SCHEMBL7944580 0.90 MAOA (0.56) MAOACYP3A4CYP2D6CALML3MAOB
SCHEMBL6302777 0.90 CALML3 (0.74) MAOACALML3MAOBPTGS1SDHA
SCHEMBL6302773 0.90 CALML3 (0.74) MAOACALML3MAOBPTGS1SDHA
SCHEMBL1393698 0.89 MAOA (0.69) MAOACALML3MAOBPTGS1SDHA
SCHEMBL7944586 0.89 MAOA (0.69) MAOACALML3MAOBPTGS1SDHA
SCHEMBL30063940 0.89 MAOA (0.69) MAOACALML3MAOBPTGS1SDHA
SCHEMBL7938096 0.89 MAOA (0.54) MAOACYP3A4CYP2D6CALML3MAOB
SCHEMBL1393645 0.89 MAOA (0.57) MAOACYP3A4CYP2D6CALML3MAOB
SCHEMBL7944591 0.88 MAOA (0.54) MAOACYP3A4CYP2D6CALML3MAOB

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-1999033839-A1 CEPHEM DERIVATIVES AND A METHOD FOR PRODUCING THE COMPOUNDS AND AN ANTIBACTERIAL COMPOSITION CONTAINING THE COMPOUNDS CHEIL JEDANG CORPORATION (KR) 1999-07-08 WO disclosed