SCHEMBL9544935

SCHEMBL9544935

CC(C)(C)OC(=O)[C@]1(C(=O)N2C[C@H](c3ccccc3)C[C@@H]2C(=O)N2Cc3ccccc3C[C@@H]2CC(=O)O)Cc2ccccc2N1

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HTRA1 Q92743 1/20 0.34
ELANE P08246 1/20 0.32
NR1D1 P20393 1/20 0.32
RAMP1 O60894 3/20 0.32
CALCRL Q16602 3/20 0.32
PREP P48147 1/20 0.31
IDH1 O75874 1/20 0.31
HDAC2 Q92769 1/20 0.31
CCKBR P32239 2/20 0.31

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
SCHEMBL9544871 0.82 HTRA1 (0.48) HTRA1
SCHEMBL9543600 0.82 HTRA1 (0.48) HTRA1
SCHEMBL9542442 0.76 HTRA1 (0.39) HTRA1
SCHEMBL9542668 0.76 HTRA1 (0.39) HTRA1
SCHEMBL9545311 0.69 PRMT5 (0.39)
SCHEMBL9544868 0.69 OPRD1 (0.40) NR1D1
SCHEMBL5064869 0.68 OPRD1 (0.49) NR1D1
SCHEMBL29401750 0.68 OPRD1 (0.49) NR1D1
SCHEMBL4595926 0.68 OPRD1 (0.49) NR1D1
SCHEMBL29163531 0.68 OPRD1 (0.49) NR1D1

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 claimed