SCHEMBL9544842

SCHEMBL9544842

CCCC[C@H](NC(=O)Cc1c[nH]c2ccccc12)C(=O)N(CCC1CCCCC1)CC(=O)N1CCCCC1C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
BCHE P06276 13/20 0.44
ACHE P22303 3/20 0.41
MC4R P32245 4/20 0.41
MC3R P41968 4/20 0.41
TACR1 P25103 1/20 0.40
CCKBR P32239 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
SCHEMBL9544444 0.99 BCHE (0.43) BCHEACHEMC4RMC3R
SCHEMBL9542655 0.99 BCHE (0.44) BCHEACHEMC4RMC3R
SCHEMBL9542661 0.99 BCHE (0.44) BCHEACHEMC4RMC3R
SCHEMBL9542603 0.93 ALDH1A1 (0.47) BCHEACHEMC4RMC3RCCKBR
SCHEMBL9543637 0.92 MAPK1 (0.46) BCHEACHEMC4RMC3RCCKBR
SCHEMBL9543634 0.92 MAPK1 (0.46) BCHEACHEMC4RMC3RCCKBR
SCHEMBL9544429 0.92 TACR1 (0.45) BCHEACHEMC4RMC3RTACR1
SCHEMBL9544859 0.92 TACR1 (0.45) BCHEACHEMC4RMC3RTACR1
SCHEMBL9544435 0.92 TACR1 (0.45) BCHEACHEMC4RMC3RTACR1
SCHEMBL9544825 0.92 TACR1 (0.45) BCHEACHEMC4RMC3RTACR1

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