SCHEMBL7548795

SCHEMBL7548795

CCC(CC)CN1CCC(=O)CC1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
COMT P21964 1/20 0.40
HRH1 P35367 1/20 0.33
PIK3CD O00329 1/20 0.31
LMNA P02545 1/20 0.31
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA3 P07451 1/20 0.31
CA4 P22748 1/20 0.31
CA6 P23280 1/20 0.31
CA5A P35218 1/20 0.31
CA7 P43166 1/20 0.31
CA9 Q16790 1/20 0.31
CA13 Q8N1Q1 1/20 0.31
CA14 Q9ULX7 1/20 0.31
CA5B Q9Y2D0 1/20 0.31
HSD11B1 P28845 2/20 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
SCHEMBL16128197 0.85 CHRM2 (0.47) COMTCA2
SCHEMBL1181641 0.77 PIK3CD (0.48) COMTPIK3CD
Iodide SCHEMBL5179424 0.77 TACR1 (0.40)
Hydrochloric Acid SCHEMBL3736656 0.76 PIK3CD (0.47) COMTPIK3CD
Bromide SCHEMBL3731954 0.76 PIK3CD (0.47) COMTPIK3CD
SCHEMBL13901216 0.75 HRH1 (0.32) COMTHRH1
SCHEMBL29125226 0.75 CHRM2 (0.45) COMTCA2
SCHEMBL28642783 0.75 CA2 (0.37) HRH1LMNACA12CA1CA2
SCHEMBL24421623 0.74 DRD2 (0.41)
SCHEMBL124152 0.74

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
WO-2002076440-A2 METHODS OF TREATING ALZHEIMER'S DISEASE WITH PIPERIDIN DERIVATES ELAN PHARMACEUTICALS, INC. (US) 2002-10-03 WO disclosed
EP-0863875-A1 NEW 4-(OXYALKOXYPHENYL)-3-OXY-PIPERIDINES FOR TREATING HEART AND KIDNEY INSUFFICIENCY F. HOFFMANN-LA ROCHE AG (CH) 1998-09-16 EP disclosed
WO-1997009311-A1 NEW 4-(OXYALKOXYPHENYL)-3-OXY-PIPERIDINES FOR TREATING HEART AND KIDNEY INSUFFICIENCY F. HOFFMANN-LA ROCHE AG (CH) 1997-03-13 WO disclosed