SCHEMBL9037209

SCHEMBL9037209

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

nearest known ligand 0.56

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KLK7 P49862 1/20 0.51
PARP1 P09874 1/20 0.48
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
FKBP1A P62942 2/20 0.46
PRMT5 O14744 1/20 0.46
PREP P48147 2/20 0.45
HTT P42858 1/20 0.45
ACE2 Q9BYF1 1/20 0.44
OPRD1 P41143 1/20 0.44

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
SCHEMBL9037136 0.92 PREP (0.55) KLK7MEN1KMT2AFKBP1APREP
SCHEMBL9037131 0.92 PREP (0.55) KLK7MEN1KMT2AFKBP1APREP
SCHEMBL9037028 0.88 PREP (0.54) KMT2APREPACE2
SCHEMBL344678 0.87 ABCB1 (0.48) KLK7PARP1MEN1KMT2AHTT
SCHEMBL344679 0.87 ABCB1 (0.48) KLK7PARP1MEN1KMT2AHTT
SCHEMBL25449146 0.87 PRMT5 (0.47) KLK7PARP1MEN1KMT2AFKBP1A
SCHEMBL3431999 0.84 PREP (0.46) FKBP1APREP
SCHEMBL7908488 0.84 KLK7 (0.52) KLK7PARP1MEN1KMT2AFKBP1A
SCHEMBL4664791 0.84 KLK7 (0.52) KLK7PARP1MEN1KMT2AFKBP1A
SCHEMBL7908485 0.84 KLK7 (0.52) KLK7PARP1MEN1KMT2AFKBP1A

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