SCHEMBL6826764

SCHEMBL6826764

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

nearest known ligand 0.55

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MAOA P21397 7/20 0.53
MAOB P27338 4/20 0.53
PTGS1 P23219 2/20 0.53
SDHA P31040 2/20 0.53
CALML3 P27482 2/20 0.53
LMNA P02545 1/20 0.53
TOP2B Q02880 1/20 0.43

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
SCHEMBL6826900 0.92 MAOB (0.44) MAOAMAOBPTGS1SDHACALML3
SCHEMBL6826892 0.91 MAOA (0.44) MAOAMAOBPTGS1SDHACALML3
SCHEMBL7129746 0.88 MAOA (0.48) MAOAMAOBPTGS1SDHACALML3
SCHEMBL14448234 0.88 MAOB (0.66) MAOAMAOBPTGS1SDHACALML3
SCHEMBL7256103 0.86 MAOA (0.53) MAOAMAOBPTGS1SDHACALML3
SCHEMBL7256106 0.86 MAOA (0.53) MAOAMAOBPTGS1SDHACALML3
SCHEMBL6827049 0.86 MAOA (0.51) MAOAMAOBPTGS1SDHACALML3
SCHEMBL6826734 0.85 CALML3 (0.45) MAOAMAOBPTGS1SDHACALML3
SCHEMBL6398263 0.85 MAOA (0.56) MAOAMAOBPTGS1SDHACALML3
SCHEMBL6398270 0.85 MAOA (0.56) MAOAMAOBPTGS1SDHACALML3

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