SCHEMBL8112794

SCHEMBL8112794

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

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ F2 P00734 1/20 0.33
▸ NPY1R P25929 1/20 0.33
▸ CNR1 P21554 3/20 0.32
▸ CNR2 P34972 2/20 0.32
▸ NPC1 O15118 1/20 0.31
▸ RAB9A P51151 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ HSD11B1 P28845 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
SCHEMBL8126826 0.90 CNR1 (0.37) F2NPY1RCNR1CNR2ALDH1A1
SCHEMBL8126579 0.90 TACR1 (0.37) F2NPC1RAB9AALDH1A1
SCHEMBL9285632 0.90 F2 (0.33) F2NPY1RCNR1CNR2ALDH1A1
SCHEMBL8125954 0.90 CNR1 (0.39) F2NPY1RCNR1CNR2
SCHEMBL8126778 0.89 HSD11B1 (0.34) F2NPC1RAB9AALDH1A1HSD11B1
SCHEMBL8124256 0.87 NPY1R (0.35) F2NPY1RCNR1CNR2
SCHEMBL8124247 0.87 NPY1R (0.42) F2NPY1RCNR1CNR2
SCHEMBL8111890 0.87 NPY1R (0.35) F2NPY1RCNR1CNR2
SCHEMBL8528491 0.87 NPY1R (0.35) F2NPY1RCNR1CNR2
SCHEMBL8120508 0.87 F2 (0.38) F2NPY1RCNR1CNR2ALDH1A1

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
Send feedback