SCHEMBL9545282

SCHEMBL9545282

CCCC[C@H](NC(=O)Cc1c[nH]c2ccccc12)C(=O)N(CC(=O)O)CC1CCCCCCC1

nearest known ligand 0.51

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 1/20 0.48
BCHE P06276 6/20 0.47
NMBR P28336 1/20 0.45
CCKBR P32239 5/20 0.44
MC4R P32245 1/20 0.42
MC3R P41968 1/20 0.42

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
SCHEMBL9544978 1.00 TACR1 (0.48) TACR1BCHENMBRCCKBRMC4R
SCHEMBL9543939 0.92 BCHE (0.46) TACR1BCHENMBRCCKBR
SCHEMBL9543354 0.92 BCHE (0.51) BCHECCKBR
SCHEMBL9542572 0.92 BCHE (0.46) TACR1BCHENMBRCCKBR
SCHEMBL9545029 0.90 TACR1 (0.47) TACR1BCHENMBRCCKBR
SCHEMBL9544884 0.88 BCHE (0.47) BCHECCKBR
SCHEMBL9544859 0.88 TACR1 (0.45) TACR1BCHENMBRCCKBRMC4R
SCHEMBL9544429 0.88 TACR1 (0.45) TACR1BCHENMBRCCKBRMC4R
SCHEMBL9544825 0.88 TACR1 (0.45) TACR1BCHENMBRCCKBRMC4R
SCHEMBL9544435 0.88 TACR1 (0.45) TACR1BCHENMBRCCKBRMC4R

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
WO-1993020099-A2 CCK AND/OR GASTRIN RECEPTOR LIGANDS FERRING B.V. (NL) 1993-10-14 WO disclosed