SCHEMBL16622618

SCHEMBL16622618

CCCCON[C@@H]1CCCNC1

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAOB P27338 3/20 0.38
MAOA P21397 2/20 0.38
KCNH2 Q12809 1/20 0.38
HTR2A P28223 1/20 0.35
CHRM1 P11229 1/20 0.34
GNAI3 P08754 2/20 0.33
GNAO1 P09471 2/20 0.33
GNAI1 P63096 2/20 0.33
MAPK1 P28482 1/20 0.33
OPRK1 P41145 1/20 0.33
MAPKAPK2 P49137 4/20 0.32
CDK2 P24941 2/20 0.32
CHEK2 O96017 1/20 0.32
KDM1A O60341 1/20 0.31
SIGMAR1 Q99720 1/20 0.31

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
SCHEMBL14390490 0.90 KCNH2 (0.48) MAOBMAOAKCNH2CHRM1GNAI3
SCHEMBL2653777 0.78 CYP1A2 (0.40) SIGMAR1
SCHEMBL29842368 0.74 MAPK1 (0.48) MAPK1OPRK1SIGMAR1
SCHEMBL31580592 0.74 MAPK1 (0.48) MAPK1OPRK1SIGMAR1
SCHEMBL791466 0.74 MAPK1 (0.48) MAPK1OPRK1SIGMAR1
SCHEMBL6669807 0.74 GNAI3 (0.51) MAOBKCNH2HTR2AGNAI3GNAO1
SCHEMBL2660604 0.73 EPHX2 (0.42) SIGMAR1
SCHEMBL22710507 0.72 NAAA (0.39) MAPK1OPRK1
SCHEMBL23921717 0.71 GNAI3 (0.62) KCNH2GNAI3GNAO1GNAI1
SCHEMBL3012066 0.70 CHRM1 (0.42) MAOBMAOAHTR2ACHRM1GNAI3

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
EP-2857401-A1 NOVEL -LACTAMASE INHIBITOR AND METHOD FOR PRODUCING SAME Meiji Seika Pharma Co., Ltd. (JP) 2015-04-08 EP disclosed