SCHEMBL9543666

SCHEMBL9543666

O=C(O)C[C@H]1Cc2ccccc2N1C(=O)[C@H](CCc1ccccc1)NC(=O)c1cc2cc(Cl)ccc2[nH]1

nearest known ligand 0.56

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PYGL P06737 15/20 0.56
CYP51A1 Q16850 4/20 0.53
EGFR P00533 1/20 0.48
PYGM P11217 3/20 0.47

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
SCHEMBL9545032 0.91 CCKBR (0.51) PYGLCYP51A1PYGM
SCHEMBL9542540 0.91 CCKBR (0.51) PYGLCYP51A1PYGM
SCHEMBL9543543 0.91 CYP51A1 (0.53) PYGLCYP51A1PYGM
SCHEMBL9542711 0.84 CCKBR (0.47) PYGLCYP51A1PYGM
SCHEMBL9544112 0.83 CYP51A1 (0.59) PYGLCYP51A1
SCHEMBL9544117 0.83 CYP51A1 (0.59) PYGLCYP51A1
SCHEMBL9544385 0.83 CCKBR (0.49) PYGLCYP51A1PYGM
SCHEMBL9548135 0.81 CCKBR (0.47) PYGLCYP51A1PYGM
SCHEMBL9544137 0.79 CCKBR (0.51) PYGLCYP51A1
SCHEMBL9542670 0.79 CCKBR (0.51) PYGLCYP51A1

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