SCHEMBL5593571

SCHEMBL5593571

CC(C)(C)OC(=O)N1CCCC(C(=O)c2ccccc2F)C1

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.53
GAA P10253 1/20 0.53
ALDH1A1 P00352 6/20 0.50
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
MAPT P10636 2/20 0.50
POLB P06746 2/20 0.48
USP30 Q70CQ3 1/20 0.46
KAT7 O95251 1/20 0.45
KAT8 Q9H7Z6 1/20 0.45
HPGD P15428 1/20 0.45

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
SCHEMBL1861675 1.00 RAB9A (0.53) RAB9AGAAALDH1A1MEN1KMT2A
SCHEMBL1867619 0.91 GAA (0.49) RAB9AGAAALDH1A1MEN1KMT2A
SCHEMBL3617205 0.91 GAA (0.49) RAB9AGAAALDH1A1MEN1KMT2A
SCHEMBL1870934 0.89 GAA (0.48) RAB9AGAAALDH1A1MEN1KMT2A
SCHEMBL4303570 0.88 GAA (0.47) RAB9AGAAALDH1A1MEN1KMT2A
SCHEMBL3878807 0.88 GAA (0.47) RAB9AGAAALDH1A1MEN1KMT2A
SCHEMBL31602900 0.88 RORC (0.46) RAB9AGAAMEN1KMT2AMAPT
SCHEMBL12991579 0.87 ALDH1A1 (0.51) RAB9AGAAALDH1A1MEN1KMT2A
SCHEMBL1865320 0.87 HSD11B1 (0.52) RAB9AGAAALDH1A1MEN1KMT2A
SCHEMBL31358021 0.86 ALDH1A1 (0.53) RAB9AGAAALDH1A1MEN1KMT2A

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-2007117560-A2 PIPERIDINE AND MORPHOLINE RENIN INHIBITORS VITAE PHARMACEUTICALS, INC. (US) 2007-10-18 WO disclosed