SCHEMBL6236460

SCHEMBL6236460

CC(=O)NCC1CN(c2ccc(N3CCN(C(=O)c4ccco4)CC3)nc2)C(=O)O1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F10 P00742 2/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
GPR119 Q8TDV5 2/20 0.47
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
MAOA P21397 4/20 0.45
LMNA P02545 3/20 0.45
MAOB P27338 2/20 0.45
PTGS1 P23219 1/20 0.45
CALML3 P27482 1/20 0.45
SDHA P31040 1/20 0.45
ALDH1A1 P00352 3/20 0.45
MAPT P10636 2/20 0.45
GAA P10253 1/20 0.45
CYP2C9 P11712 1/20 0.45
ALOX12 P18054 1/20 0.45
CYP2C19 P33261 1/20 0.45
GFER P55789 1/20 0.45
ABCB11 O95342 1/20 0.44
GLA P06280 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
SCHEMBL29085031 1.00 F10 (0.49) F10L3MBTL1GPR119NPC1RAB9A
SCHEMBL6232685 0.91 F10 (0.49) F10L3MBTL1GPR119NPC1RAB9A
SCHEMBL6260349 0.87 F10 (0.48) F10L3MBTL1GPR119MAOALMNA
SCHEMBL6256776 0.84 F10 (0.49) F10L3MBTL1GPR119ALDH1A1HSD17B10
SCHEMBL6239389 0.84 F10 (0.56) F10MAOALMNAMAOBPTGS1
SCHEMBL6237098 0.84 F10 (0.56) F10MAOALMNAMAOBPTGS1
SCHEMBL29085092 0.84 ME2 (0.54) F10MAOALMNAMAOBPTGS1
SCHEMBL6255771 0.84 F10 (0.46) F10RAB9AMAOALMNAMAOB
SCHEMBL6258702 0.83 F10 (0.47) F10MAOALMNAMAOBPTGS1
SCHEMBL6237438 0.83 F10 (0.49) F10MAOALMNAMAOBPTGS1

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-2005003087-A2 OXAZOLE DERIVATIVES AS ANTIBACTERIAL AGENTS ORCHID CHEMICALS AND PHARMACEUTICALS LTD. (IN) 2005-01-13 WO disclosed