SCHEMBL8121140

SCHEMBL8121140

CC(C(=O)N(Cc1cc(Cl)c(N)c(Cl)c1)[C@H](CCCNC(N)=N[N+](=O)[O-])C(N)=O)(c1ccccc1)c1ccccc1

nearest known ligand 0.36

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ F2 P00734 1/20 0.36
▸ GAA P10253 1/20 0.30
▸ CNR1 P21554 1/20 0.30
▸ CNR2 P34972 1/20 0.30
▸ CCR10 P46092 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
SCHEMBL8126778 0.86 HSD11B1 (0.34) F2GAA
SCHEMBL8112794 0.85 F2 (0.33) F2CNR1CNR2
Hydrochloric Acid SCHEMBL8123651 0.85 CNR1 (0.33) GAACNR1CNR2CCR10
SCHEMBL8126579 0.84 TACR1 (0.37) F2
SCHEMBL8115107 0.84 F2 (0.33) F2
SCHEMBL8114286 0.81 OPRM1 (0.33) F2
SCHEMBL8122655 0.80 TMEM97 (0.33) —
SCHEMBL8125832 0.78 F2 (0.36) F2
SCHEMBL9289679 0.78 NPY1R (0.41) F2
SCHEMBL8121138 0.78 NPY1R (0.41) F2

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-0680469-B1 AMINOACID DERIVATES, MEDICAMENTS CONTAINING THESE COMPOUNDS AND PROCESS FOR PREPARING THE SAME BOEHRINGER INGELHEIM PHARMA (DE) 2000-04-26 — — EP disclosed
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