Sugi Predict

Sugi Predict / Compounds / SCHEMBL7454239

SCHEMBL7454239

SCHEMBL7454239

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 7)

geneUniProtsupporting neighboursconfidence
▸ CCR5 P51681 2/20 0.31
▸ DPP8 Q6V1X1 1/20 0.31
▸ DPP9 Q86TI2 1/20 0.31
▸ NPC1 O15118 1/20 0.30
▸ RAB9A P51151 1/20 0.30
▸ ALDH1A1 P00352 1/20 0.30
▸ MAPT P10636 1/20 0.30

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
SCHEMBL7456517 0.96 ENPP2 (0.33) CCR5DPP8DPP9
SCHEMBL7453403 0.93 CCR5 (0.32) CCR5DPP8DPP9NPC1RAB9A
SCHEMBL7457687 0.91 ENPP2 (0.36) DPP8DPP9
SCHEMBL7453954 0.90 DPP8 (0.31) CCR5DPP8DPP9
SCHEMBL8104537 0.89 DPP8 (0.32) CCR5DPP8DPP9NPC1RAB9A
SCHEMBL7453536 0.88 SIGMAR1 (0.33) CCR5DPP8DPP9ALDH1A1
SCHEMBL7453683 0.87 SIGMAR1 (0.35) CCR5DPP8DPP9ALDH1A1
SCHEMBL9574341 0.87 DPP8 (0.35) DPP8DPP9NPC1RAB9AALDH1A1
SCHEMBL9574214 0.87 DPP8 (0.35) DPP8DPP9NPC1RAB9AALDH1A1
SCHEMBL7452662 0.86 ALDH1A1 (0.35) ALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0882728-B1 1-METHYLCARBAPENEM DERIVATIVES SANKYO CO (JP) 2002-09-04 — — EP disclosed
US-6090802-A BACTERICIDE SANKYO COMPANY, LIMITED (JP) 2000-07-18 — — US disclosed
EP-0882728-A1 1-METHYLCARBAPENEM DERIVATIVES SANKYO COMPANY LIMITED (JP) 1998-12-09 — — EP disclosed