SCHEMBL8420796

SCHEMBL8420796

CCOC(=O)C(=O)N1CC2CCC1C2

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.43
GAA P10253 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.36
KMT2A Q03164 2/20 0.35
MEN1 O00255 1/20 0.35
NPC1 O15118 6/20 0.34
RAB9A P51151 6/20 0.34
CHRM1 P11229 1/20 0.33
EPHX2 P34913 1/20 0.32
ALDH1A1 P00352 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32

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
SCHEMBL17039078 0.85 GAA (0.38) GAAL3MBTL1KMT2AMEN1NPC1
SCHEMBL22553973 0.81 RAB9A (0.35) KMT2ANPC1RAB9AALDH1A1
SCHEMBL29822372 0.74 GAA (0.40) MAPTGAAL3MBTL1KMT2AMEN1
SCHEMBL14899361 0.74 CHRNB2 (0.44) MAPTKMT2ANPC1RAB9A
SCHEMBL8422039 0.73 FKBP1A (0.45)
SCHEMBL8369393 0.73 CHRNB2 (0.44) MAPTL3MBTL1KMT2AMEN1NPC1
SCHEMBL30731271 0.72 RAB9A (0.32) KMT2ANPC1RAB9A
SCHEMBL2653632 0.72 KMT2A (0.40) GAAKMT2AMEN1NPC1RAB9A
SCHEMBL25010722 0.71 CHRNB2 (0.39) KMT2ANPC1RAB9ACHRM1
SCHEMBL17037033 0.71 CHRNB2 (0.39) KMT2ANPC1RAB9ACHRM1

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
EP-0947506-A1 2-Aza-bicyclo[2.2.1]heptane derivatives and their use as rotamase inhibitors Pfizer Products Inc. (US) 1999-10-06 EP disclosed