SCHEMBL4610484

SCHEMBL4610484

CC(C)(C)OC(=O)C1CC2CCCC(C2)C1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
BTK Q06187 1/20 0.42
HRH3 Q9Y5N1 1/20 0.40
CHRNB2 P17787 1/20 0.39
CHRNA4 P43681 1/20 0.39
CHRM2 P08172 1/20 0.36
CHRM1 P11229 1/20 0.36
CHRM3 P20309 1/20 0.36
HPGD P15428 1/20 0.36
KMT2A Q03164 3/20 0.36
MEN1 O00255 2/20 0.36
MAPK1 P28482 2/20 0.35
HTT P42858 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
EPHX2 P34913 1/20 0.33
GAA P10253 1/20 0.32
HSD17B10 Q99714 1/20 0.31
PREP P48147 1/20 0.31
RECQL P46063 1/20 0.31

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
SCHEMBL3637877 0.82 BTK (0.44) BTKHRH3CHRNB2CHRNA4CHRM2
SCHEMBL1296378 0.82 BTK (0.50) BTKHRH3CHRM2CHRM1CHRM3
SCHEMBL25762342 0.82 BTK (0.50) BTKHRH3CHRM2CHRM1CHRM3
SCHEMBL1690233 0.81 HRH3 (0.49) BTKHRH3CHRM2CHRM1CHRM3
SCHEMBL1298062 0.81 HRH3 (0.43) BTKHRH3CHRNB2CHRNA4CHRM2
SCHEMBL20765967 0.78 CHRM2 (0.44) BTKHRH3CHRNB2CHRNA4CHRM2
SCHEMBL1758681 0.78 CHRNB2 (0.62) CHRNB2CHRNA4CHRM2CHRM3KMT2A
SCHEMBL1764699 0.77 HRH3 (0.49) BTKHRH3CHRM2CHRM1CHRM3
SCHEMBL186721 0.77 HRH3 (0.51) BTKHRH3CHRM2CHRM1CHRM3
SCHEMBL1295721 0.77 HRH3 (0.51) BTKHRH3CHRM2CHRM1CHRM3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1907359-A2 3,5-SUBSTITUTED PIPERIDINE DERIVATIVES EFFECTIVE ON RENIN-RELATED DISORDERS Novartis AG (CH) 2008-04-09 EP disclosed
WO-2007006534-A2 PIPERIDINE DERIVATIVES USEFUL IN THE DIAGNOSTIC AND THERAPEUTIC TREATMENT OF DISEASES DEPENDING ON RENIN ACTIVITY NOVARTIS AG (CH) 2007-01-18 WO disclosed