SCHEMBL9037136

SCHEMBL9037136

CC(C)(C)OC(=O)N1CCC[C@@H]1C(=O)N1CCC[C@H]1CC(=O)OCc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PREP P48147 5/20 0.55
KLK7 P49862 1/20 0.53
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
HSD17B10 Q99714 1/20 0.47
UCHL1 P09936 2/20 0.47
FKBP1A P62942 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46

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
SCHEMBL9037131 1.00 PREP (0.55) PREPKLK7MEN1KMT2AHSD17B10
SCHEMBL9037209 0.92 KLK7 (0.51) PREPKLK7MEN1KMT2AFKBP1A
SCHEMBL9610764 0.85 KLK7 (0.61) PREPKLK7MEN1KMT2AHSD17B10
SCHEMBL7307432 0.85 KLK7 (0.61) PREPKLK7MEN1KMT2AHSD17B10
SCHEMBL9609458 0.85 KLK7 (0.61) PREPKLK7MEN1KMT2AHSD17B10
SCHEMBL6925800 0.84 FKBP1A (0.64) PREPKLK7MEN1KMT2AFKBP1A
SCHEMBL5248179 0.83 KLK7 (0.56) PREPKLK7MEN1KMT2AFKBP1A
SCHEMBL5970730 0.83 KLK7 (0.66) PREPKLK7MEN1KMT2AFKBP1A
SCHEMBL159104 0.83 KLK7 (0.66) PREPKLK7MEN1KMT2AFKBP1A
SCHEMBL159105 0.83 KLK7 (0.66) PREPKLK7MEN1KMT2AFKBP1A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0491943-A4 TETRAHYDROPYRIDOINDOLES AS CHOLECYSTOKININ AND GASTRIN ANTAGONISTS RORER INT HOLDINGS (US) 1996-02-14 EP disclosed
EP-0491943-A1 TETRAHYDROPYRIDOINDOLES AS CHOLECYSTOKININ AND GASTRIN ANTAGONISTS RHONE-POULENC RORER INTERNATIONAL (HOLDINGS) INC. (US) 1992-07-01 EP disclosed
WO-1992000295-A1 TETRAHYDROPYRIDOINDOLES AS CHOLECYSTOKININ AND GASTRIN ANTAGONISTS RHONE-POULENC RORER INTERNATIONAL (HOLDINGS) INC. (US) 1992-01-09 WO disclosed