SCHEMBL8120727

SCHEMBL8120727

NC(=O)[C@@H](CCCNC(N)=N[N+](=O)[O-])NCc1ccc(OC(=O)C(F)(F)F)cc1

nearest known ligand 0.41

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ F2 P00734 1/20 0.39
▸ MC4R P32245 1/20 0.35
▸ MC3R P41968 1/20 0.35
▸ MC1R Q01726 1/20 0.35
▸ NPY1R P25929 8/20 0.33
▸ NPY4R P50391 3/20 0.32
▸ TLR2 O60603 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
SCHEMBL8126685 0.92 F2 (0.40) F2NPY4R
Trifluoroacetic Acid SCHEMBL8114483 0.86 CHIT1 (0.38) F2NPY1R
SCHEMBL8119391 0.85 NPY1R (0.43) F2MC4RMC3RMC1RNPY1R
Hydrochloric Acid SCHEMBL8120993 0.84 NPY1R (0.42) F2MC4RMC3RMC1RNPY1R
SCHEMBL8119098 0.84 NPC1 (0.38) —
SCHEMBL8114868 0.83 MC4R (0.37) F2MC4RMC3RMC1RNPY1R
Trifluoroacetic Acid SCHEMBL8111954 0.82 F2 (0.35) F2NPY1RNPY4R
SCHEMBL8127587 0.82 CYP2C19 (0.40) F2MC4RMC3RMC1RNPY1R
Hydrochloric Acid SCHEMBL7040129 0.82 CYP2C9 (0.37) F2MC4RMC3RMC1RNPY1R
SCHEMBL8122834 0.81 F2 (0.37) 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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