SCHEMBL6828025

SCHEMBL6828025

CC(=O)NC[C@H]1CN(c2ccc(C3CCN(C(=O)c4cc5ccccc5o4)CC3)c(F)c2)C(=O)O1

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAOA P21397 6/20 0.53
MAOB P27338 3/20 0.53
PTGS1 P23219 2/20 0.53
SDHA P31040 2/20 0.53
LMNA P02545 1/20 0.53
CALML3 P27482 1/20 0.53
NPC1 O15118 1/20 0.46
ALDH1A1 P00352 1/20 0.46
HPGD P15428 1/20 0.46
RAB9A P51151 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
TOP2B Q02880 1/20 0.43
F10 P00742 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
SCHEMBL6826733 0.92 MAOA (0.45) MAOAMAOBPTGS1SDHALMNA
SCHEMBL6397262 0.85 MAOA (0.53) MAOAMAOBPTGS1SDHALMNA
SCHEMBL6397255 0.85 MAOA (0.53) MAOAMAOBPTGS1SDHALMNA
SCHEMBL6398263 0.85 MAOA (0.56) MAOAMAOBPTGS1SDHALMNA
SCHEMBL6398270 0.85 MAOA (0.56) MAOAMAOBPTGS1SDHALMNA
SCHEMBL8030283 0.84 MAOA (0.62) MAOAMAOBPTGS1SDHALMNA
SCHEMBL7985477 0.84 MAOA (0.62) MAOAMAOBPTGS1SDHALMNA
SCHEMBL6402337 0.83 MAOA (0.61) MAOAMAOBPTGS1SDHALMNA
SCHEMBL6401626 0.83 MAOA (0.61) MAOAMAOBPTGS1SDHALMNA
SCHEMBL6824443 0.83 MAOA (0.61) MAOAMAOBPTGS1SDHALMNA

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