SCHEMBL9543939

SCHEMBL9543939

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

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
BCHE P06276 5/20 0.46
TACR1 P25103 1/20 0.45
NMBR P28336 1/20 0.44
CCKBR P32239 5/20 0.43
HDAC3 O15379 1/20 0.42
NR1I2 O75469 1/20 0.42
CYP2C9 P11712 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC2 Q92769 1/20 0.42
HDAC8 Q9BY41 1/20 0.42
CCKAR P32238 1/20 0.41

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
SCHEMBL9542572 1.00 BCHE (0.46) BCHETACR1NMBRCCKBRHDAC3
SCHEMBL9543211 0.92 BCHE (0.49) BCHECCKBRHDAC3NR1I2CYP2C9
SCHEMBL9545282 0.92 TACR1 (0.48) BCHETACR1NMBRCCKBR
SCHEMBL9544978 0.92 TACR1 (0.48) BCHETACR1NMBRCCKBR
SCHEMBL9544884 0.90 BCHE (0.47) BCHECCKBRHDAC3NR1I2CYP2C9
SCHEMBL9545029 0.88 TACR1 (0.47) BCHETACR1NMBRCCKBR
SCHEMBL9544109 0.87 BCHE (0.49) BCHECCKBR
SCHEMBL9544237 0.86 BCHE (0.48) BCHECCKBRHDAC3NR1I2CYP2C9
SCHEMBL9544413 0.86 MAPK1 (0.47) BCHETACR1NMBRCCKBRHDAC3
SCHEMBL9544415 0.86 MAPK1 (0.47) BCHETACR1NMBRCCKBRHDAC3

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