SCHEMBL8104537

SCHEMBL8104537

NC(=NC(=O)OCc1ccc([N+](=O)[O-])cc1)N(CCC(O)NC1CN(C(=O)[C@@H]2C[C@H](S)CN2C(=O)OCc2ccc([N+](=O)[O-])cc2)C1)C(=O)OCc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.32

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
DPP8 Q6V1X1 1/20 0.32
DPP9 Q86TI2 1/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
CCR5 P51681 2/20 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
SCHEMBL7454239 0.89 CCR5 (0.31) DPP8DPP9NPC1RAB9ACCR5
SCHEMBL7456517 0.88 ENPP2 (0.33) DPP8DPP9CCR5
SCHEMBL7453959 0.88 DPP8 (0.31) DPP8DPP9CCR5
SCHEMBL7453403 0.87 CCR5 (0.32) DPP8DPP9NPC1RAB9ACCR5
SCHEMBL7453954 0.87 DPP8 (0.31) DPP8DPP9CCR5
SCHEMBL7457687 0.84 ENPP2 (0.36) DPP8DPP9
SCHEMBL9574341 0.84 DPP8 (0.35) DPP8DPP9NPC1RAB9A
SCHEMBL9574214 0.84 DPP8 (0.35) DPP8DPP9NPC1RAB9A
SCHEMBL7453536 0.84 SIGMAR1 (0.33) DPP8DPP9CCR5
SCHEMBL7453160 0.83 DPP8 (0.31) DPP8DPP9CCR5

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
US-6090802-A BACTERICIDE SANKYO COMPANY, LIMITED (JP) 2000-07-18 US disclosed