SCHEMBL8120388

SCHEMBL8120388

CS(=O)(=O)Nc1ccc(CN(C(=O)C(c2ccccc2)c2ccccc2)[C@@H](CCCN)C(=O)NC(N)=N[N+](=O)[O-])cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NR3C2 P08235 3/20 0.34
▸ RORC P51449 2/20 0.33
▸ CYP2D6 P10635 1/20 0.33
▸ OPRM1 P35372 1/20 0.33
▸ OPRD1 P41143 1/20 0.33
▸ OPRK1 P41145 1/20 0.33
▸ LIMK2 P53671 1/20 0.33
▸ RORA P35398 1/20 0.33
▸ NR1H2 P55055 1/20 0.33
▸ NR1H3 Q13133 1/20 0.33
▸ RORB Q92753 1/20 0.33
▸ F2 P00734 1/20 0.32
▸ F10 P00742 1/20 0.32
▸ PRSS1 P07477 1/20 0.32
▸ KEAP1 Q14145 1/20 0.32
▸ NFE2L2 Q16236 1/20 0.32
▸ ALOX5 P09917 1/20 0.32
▸ EPHX2 P34913 1/20 0.32
▸ CCR5 P51681 1/20 0.32
▸ TDP1 Q9NUW8 1/20 0.32

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
SCHEMBL8119418 0.90 NPY1R (0.32) TDP1EPORNPY1R
SCHEMBL8119581 0.88 NPY1R (0.40) EPORNPY1R
SCHEMBL8126142 0.88 TDP1 (0.35) TDP1EPORNPY1R
SCHEMBL8114831 0.87 EPOR (0.39) NR1H3TDP1EPOR
SCHEMBL8120746 0.86 TDP1 (0.34) LIMK2TDP1EPORNPY1R
SCHEMBL8526325 0.86 MAPT (0.35) TDP1EPORNPY1R
SCHEMBL8122527 0.86 NPY1R (0.38) EPORNPY1R
SCHEMBL8127523 0.84 NPY1R (0.33) EPORNPY1R
SCHEMBL8127365 0.84 LMNA (0.41) NR1H3
SCHEMBL8111322 0.84 NPY1R (0.32) NPY1R

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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