SCHEMBL4694722

SCHEMBL4694722

COC(=O)[C@H]1N(C(=O)NCCc2ccccc2)C(=O)[C@]1(C)CC(=N)NC(=N)N

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 3/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
GAA P10253 1/20 0.36
ELANE P08246 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
EPHX1 P07099 1/20 0.36
ALDH1A1 P00352 1/20 0.35
TPSAB1 Q15661 1/20 0.35
CHRM5 P08912 2/20 0.35
CHRM3 P20309 2/20 0.35
CHRM1 P11229 1/20 0.35
P2RX4 Q99571 2/20 0.35
PLAAT3 P53816 1/20 0.35
PLAAT5 Q96KN8 1/20 0.35
PLAAT2 Q9NWW9 1/20 0.35
PLAAT4 Q9UL19 1/20 0.35

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
SCHEMBL3330879 0.81 CASP3 (0.34) GAAALDH1A1
SCHEMBL4696831 0.77 TPSAB1 (0.39) TAAR1NPC1RAB9AGAAELANE
SCHEMBL4697607 0.70 TPSAB1 (0.48) RAB9AALDH1A1TPSAB1P2RX4
SCHEMBL4698784 0.67 TPSAB1 (0.44) TAAR1NPC1RAB9AEPHX1ALDH1A1
SCHEMBL4698740 0.67 F2 (0.45) NPC1RAB9AGAAELANEEPHX1
SCHEMBL4698747 0.67 F2 (0.45) NPC1RAB9AGAAELANEEPHX1
Phenformin SCHEMBL8424 0.62 NPC1 (0.52) TAAR1NPC1RAB9AGAAL3MBTL1
Phenformin SCHEMBL12487086 0.62 NPC1 (0.52) TAAR1NPC1RAB9AGAAL3MBTL1
SCHEMBL4697341 0.62 TPSAB1 (0.58) TPSAB1P2RX4
SCHEMBL4697345 0.62 TPSAB1 (0.58) TPSAB1P2RX4

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1871741-A2 SUBSTITUTED AZETIDINONES Daiamed, Inc. (US) 2008-01-02 EP disclosed
WO-2006108039-A2 SUBSTITUTED AZETIDINONES DAIAMED, INC. (US) 2006-10-12 WO disclosed