SCHEMBL8114831

SCHEMBL8114831

COc1ccc(CN(C(=O)C(c2ccccc2)c2ccccc2)[C@@H](CCCN)C(=O)NC(N)=N[N+](=O)[O-])cc1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ EPOR P19235 2/20 0.39
▸ TDP1 Q9NUW8 2/20 0.37
▸ CNR1 P21554 1/20 0.37
▸ CNR2 P34972 1/20 0.37
▸ NR1H3 Q13133 1/20 0.36
▸ ALDH1A1 P00352 3/20 0.36
▸ TAS2R14 Q9NYV8 1/20 0.36
▸ CTSD P07339 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.35
▸ EPHX1 P07099 1/20 0.35
▸ BLM P54132 1/20 0.34
▸ CASR P41180 1/20 0.34

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
SCHEMBL8112501 0.92 KMT2A (0.38) EPORTDP1CNR1CNR2ALDH1A1
SCHEMBL8120799 0.91 EPOR (0.42) EPORTDP1NR1H3ALDH1A1CTSD
SCHEMBL8526325 0.91 MAPT (0.35) EPORTDP1ALDH1A1CTSDKMT2A
SCHEMBL8111576 0.91 ALDH1A1 (0.39) EPORCNR1CNR2ALDH1A1CTSD
SCHEMBL8127365 0.90 LMNA (0.41) NR1H3ALDH1A1CTSDKMT2ANPSR1
SCHEMBL8119581 0.90 NPY1R (0.40) EPOR
SCHEMBL8126142 0.89 TDP1 (0.35) EPORTDP1KMT2ANPSR1
SCHEMBL8112912 0.88 CTSD (0.36) NR1H3ALDH1A1CTSDKMT2A
SCHEMBL8121415 0.88 CTSD (0.36) NR1H3ALDH1A1CTSDKMT2A
SCHEMBL8120746 0.88 TDP1 (0.34) EPORTDP1KMT2A

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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