SCHEMBL8125364

SCHEMBL8125364

COc1ccc2[nH]cc(CCN(C(=O)C(c3ccccc3)c3ccccc3)[C@@H](CCCN)C(=O)NC(N)=N[N+](=O)[O-])c2c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 4/20 0.42
▸ MTNR1A P48039 4/20 0.41
▸ MTNR1B P49286 3/20 0.41
▸ FAAH O00519 3/20 0.40
▸ SCN5A Q14524 1/20 0.40
▸ SCN2A Q99250 1/20 0.40
▸ HTR6 P50406 3/20 0.40
▸ MEN1 O00255 3/20 0.40
▸ CYP1A2 P05177 3/20 0.40
▸ HTR1A P08908 3/20 0.40
▸ HTR2A P28223 3/20 0.40
▸ HTR1D P28221 2/20 0.40
▸ HTR1B P28222 2/20 0.40
▸ HTR2C P28335 2/20 0.40
▸ HTR7 P34969 2/20 0.40
▸ HTR4 Q13639 2/20 0.40
▸ MAPT P10636 1/20 0.40
▸ TSHR P16473 1/20 0.40
▸ NFKB1 P19838 1/20 0.40
▸ TRPM8 Q7Z2W7 1/20 0.40

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
SCHEMBL8119825 0.89 MC5R (0.43) —
SCHEMBL8112501 0.85 KMT2A (0.38) KMT2ASCN5ASCN2AMEN1BLM
SCHEMBL8119518 0.84 EPOR (0.37) TDP1
SCHEMBL8111576 0.82 ALDH1A1 (0.39) KMT2ASCN5ASCN2AMAPTBLM
SCHEMBL8114831 0.80 EPOR (0.39) KMT2ABLMNPSR1ALDH1A1TDP1
SCHEMBL8120799 0.80 EPOR (0.42) KMT2AMEN1NPSR1L3MBTL1KDM4E
SCHEMBL8120680 0.78 CNR1 (0.36) HTR2A
SCHEMBL8125877 0.77 MEN1 (0.46) KMT2AMEN1CYP1A2MAPTBLM
SCHEMBL8126911 0.77 NPY1R (0.39) —
SCHEMBL8121485 0.77 — —

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