SCHEMBL7129746

SCHEMBL7129746

CC(=S)NC[C@H]1CN(c2ccc(C3CCN(C(=S)c4cnccn4)CC3)c(F)c2)C(=O)O1

nearest known ligand 0.48

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MAOA P21397 7/20 0.48
MAOB P27338 6/20 0.47
CALML3 P27482 2/20 0.47
PTGS1 P23219 2/20 0.47
SDHA P31040 2/20 0.47
LMNA P02545 1/20 0.47
F10 P00742 3/20 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
SCHEMBL6826734 0.93 CALML3 (0.45) MAOAMAOBCALML3PTGS1SDHA
SCHEMBL6823523 0.92 MAOA (0.43) MAOAMAOBCALML3PTGS1SDHA
SCHEMBL5422796 0.88 MAOB (0.58) MAOAMAOBCALML3PTGS1SDHA
SCHEMBL5422792 0.88 MAOB (0.58) MAOAMAOBCALML3PTGS1SDHA
SCHEMBL6826764 0.88 MAOA (0.53) MAOAMAOBCALML3PTGS1SDHA
SCHEMBL6826900 0.87 MAOB (0.44) MAOAMAOBCALML3PTGS1SDHA
SCHEMBL7255296 0.87 MAOA (0.47) MAOAMAOBCALML3PTGS1SDHA
SCHEMBL7255302 0.87 MAOA (0.47) MAOAMAOBCALML3PTGS1SDHA
SCHEMBL6826892 0.87 MAOA (0.44) MAOAMAOBCALML3PTGS1SDHA
SCHEMBL5407728 0.84 MAOB (0.65) MAOAMAOBCALML3PTGS1SDHA

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-2004113329-A1 OXAZOLE DERIVATIVES AS ANTIBACTERIAL AGENTS ORCHID CHEMICALS AND PHARMACEUTICALS LTD. (IN) 2004-12-29 WO disclosed