Sugi Predict

Sugi Predict / Compounds / SCHEMBL9544112

SCHEMBL9544112

SCHEMBL9544112

O=C(O)C[C@H]1Cc2ccccc2N1C(=O)C(Cc1ccccc1)NC(=O)c1cc2ccccc2[nH]1

nearest known ligand 0.59

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ CYP51A1 Q16850 4/20 0.59
▸ PYGL P06737 9/20 0.57
▸ CCKAR P32238 1/20 0.50
▸ CCKBR P32239 1/20 0.50
▸ ALB P02768 1/20 0.47
▸ IL2 P60568 1/20 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
SCHEMBL9544117 1.00 CYP51A1 (0.59) CYP51A1PYGLCCKARCCKBRALB
SCHEMBL9545032 0.92 CCKBR (0.51) CYP51A1PYGLCCKARCCKBR
SCHEMBL9542540 0.92 CCKBR (0.51) CYP51A1PYGLCCKARCCKBR
SCHEMBL9542711 0.84 CCKBR (0.47) CYP51A1PYGLCCKARCCKBR
SCHEMBL9544385 0.84 CCKBR (0.49) CYP51A1PYGLCCKARCCKBR
SCHEMBL9543543 0.83 CYP51A1 (0.53) CYP51A1PYGLCCKARCCKBRALB
SCHEMBL9543666 0.83 PYGL (0.56) CYP51A1PYGL
SCHEMBL9548135 0.81 CCKBR (0.47) CYP51A1PYGLCCKARCCKBR
SCHEMBL9543489 0.79 CCKBR (0.48) CYP51A1PYGLCCKARCCKBR
SCHEMBL9544137 0.79 CCKBR (0.51) CYP51A1PYGLCCKARCCKBR

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