SCHEMBL6897697

SCHEMBL6897697

CNC(=O)NCc1ccc(CN(C(=O)C(c2ccccc2)c2ccccc2)[C@H](CCCNC(=N)N)C(N)=O)cc1

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TPSAB1 Q15661 2/20 0.38
NPY1R P25929 5/20 0.38
CYP2D6 P10635 1/20 0.37
OPRD1 P41143 1/20 0.37
OPRK1 P41145 1/20 0.37
CASR P41180 1/20 0.37
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
TDP1 Q9NUW8 1/20 0.35
POLB P06746 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
Trifluoroacetic Acid SCHEMBL7044926 0.95 NPY1R (0.42) NPY1R
SCHEMBL6900118 0.92 NPY1R (0.40) TPSAB1NPY1RCASRMEN1KMT2A
SCHEMBL8528714 0.91 TPSAB1 (0.38) TPSAB1NPY1RCASRMEN1KMT2A
SCHEMBL8528076 0.91 TPSAB1 (0.39) TPSAB1NPY1RMEN1KMT2ATDP1
SCHEMBL6899868 0.91 NPY1R (0.42) TPSAB1NPY1RMEN1KMT2ATDP1
SCHEMBL7059809 0.91 NPY1R (0.42) TPSAB1NPY1RMEN1KMT2ATDP1
SCHEMBL8526447 0.90 TPSAB1 (0.37) TPSAB1NPY1RCASRMEN1KMT2A
SCHEMBL7750546 0.90 F7 (0.38) CASRMEN1KMT2ATDP1
SCHEMBL8526278 0.89 NPY1R (0.39) TPSAB1NPY1RMEN1KMT2ATDP1
SCHEMBL30905434 0.88 CNR1 (0.41) TPSAB1MEN1KMT2ATDP1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0885186-B1 AMINO ACID DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THESE COMPOUNDS AND PROCESSES FOR PREPARING THEM THOMAE GMBH DR K (DE) 2003-03-26 EP claimed
US-20040029953-A1 Use of neuropeptide-y antagonists in treatment of alcoholism THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2004-02-12 US disclosed
EP-0885186-B1 AMINO ACID DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THESE COMPOUNDS AND PROCESSES FOR PREPARING THEM THOMAE GMBH DR K (DE) 2003-03-26 EP disclosed