SCHEMBL9037346

SCHEMBL9037346

CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)N1CCCC(C(=O)OCc2ccccc2)C1

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KLK7 P49862 1/20 0.54
HSD17B10 Q99714 1/20 0.53
PREP P48147 4/20 0.51
UCHL1 P09936 1/20 0.50
FKBP1A P62942 3/20 0.49
GABRA1 P14867 1/20 0.49
GABRG2 P18507 1/20 0.49
GABRB3 P28472 1/20 0.49
GABRA3 P34903 1/20 0.49
GABRA2 P47869 1/20 0.49
GABRB2 P47870 1/20 0.49
ALDH1A1 P00352 2/20 0.48
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
NPC1 O15118 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 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
SCHEMBL9039400 0.96 HSD17B10 (0.59) KLK7HSD17B10PREPUCHL1FKBP1A
SCHEMBL9039395 0.96 HSD17B10 (0.59) KLK7HSD17B10PREPUCHL1FKBP1A
SCHEMBL14348059 0.88 ALDH1A1 (0.52) GABRA1GABRG2GABRB3GABRA3GABRA2
SCHEMBL2070692 0.88 ALDH1A1 (0.55) GABRA1GABRG2GABRB3GABRA3GABRA2
SCHEMBL14348055 0.88 ALDH1A1 (0.55) GABRA1GABRG2GABRB3GABRA3GABRA2
SCHEMBL28445313 0.86 FKBP1A (0.53) KLK7FKBP1AALDH1A1CYP3A4
SCHEMBL26397406 0.86 FKBP1A (0.53) KLK7FKBP1AALDH1A1CYP3A4
SCHEMBL20811255 0.86 FKBP1A (0.53) KLK7FKBP1AALDH1A1CYP3A4
SCHEMBL7307432 0.86 KLK7 (0.61) KLK7HSD17B10PREPFKBP1AMEN1
SCHEMBL9609458 0.86 KLK7 (0.61) KLK7HSD17B10PREPFKBP1AMEN1

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