SCHEMBL9195777

SCHEMBL9195777

N=C(N)NCCCC(N)C(=O)N(CCc1c[nH]cn1)C(=O)C(c1ccccc1)c1ccccc1

nearest known ligand 0.33

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ CNR1 P21554 1/20 0.32
▸ NPY1R P25929 2/20 0.32
▸ ANPEP P15144 1/20 0.30

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
SCHEMBL9276334 0.84 CNR1 (0.32) CNR1NPY1R
SCHEMBL9195784 0.84 CNR1 (0.32) CNR1NPY1R
SCHEMBL1388286 0.84 CNR1 (0.45) CNR1NPY1R
SCHEMBL9268570 0.82 CNR1 (0.41) CNR1NPY1R
SCHEMBL9276101 0.79 CNR1 (0.39) CNR1NPY1R
SCHEMBL1389117 0.78 CNR1 (0.41) CNR1NPY1RANPEP
SCHEMBL8125407 0.76 NPY1R (0.41) CNR1NPY1R
SCHEMBL9200988 0.76 CYP2C9 (0.38) CNR1NPY1R
SCHEMBL7620856 0.75 DPP7 (0.38) NPY1R
SCHEMBL7620870 0.75 DPP7 (0.38) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0680469-A1 AMINOACID DERIVATES, MEDICAMENTS CONTAINING THESE COMPOUNDS AND PROCESS FOR PREPARING THE SAME Dr. Karl Thomae GmbH (DE) 1995-11-08 — — EP disclosed
WO-1994017035-A1 AMINOACID DERIVATES, MEDICAMENTS CONTAINING THESE COMPOUNDS AND PROCESS FOR PREPARING THE SAME DR. KARL THOMAE GMBH (DE) 1994-08-04 — — WO disclosed
Send feedback