SCHEMBL8972329

SCHEMBL8972329

CC(CO)C1CCN(CCCCN)CC1

nearest known ligand 0.73

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GNAI3 P08754 4/20 0.41
GNAO1 P09471 4/20 0.41
GNAI1 P63096 4/20 0.41
CHRM1 P11229 1/20 0.36
KEAP1 Q14145 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
CHRM3 P20309 1/20 0.35
SIGMAR1 Q99720 1/20 0.35
SLC6A4 P31645 1/20 0.35

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
SCHEMBL8972223 0.79 MAPT (0.44) GNAI3GNAO1GNAI1SMN1; SMN2
SCHEMBL9689240 0.78 GNAO1 (0.38) GNAI3GNAO1GNAI1
SCHEMBL1842886 0.76 SMN1; SMN2 (0.44) SMN1; SMN2
SCHEMBL8972506 0.76 GNAI3 (0.37) GNAI3GNAO1GNAI1CHRM1SMN1; SMN2
SCHEMBL8971755 0.75 DDAH1 (0.35) GNAI3GNAO1GNAI1
Hydrochloric Acid SCHEMBL8972944 0.75 GNAI3 (0.39) GNAI3GNAO1GNAI1SMN1; SMN2
SCHEMBL15925128 0.75 DPP4 (0.41)
SCHEMBL30981065 0.74 HTT (0.30)
SCHEMBL8967209 0.74 NCF1 (0.38) GNAI3GNAO1GNAI1
SCHEMBL20082543 0.73 GNAI3 (0.38) GNAI3GNAO1GNAI1KEAP1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0468457-B1 Novel substituted piperidines and their use as inhibitors of cholesterol synthesis MERRELL DOW PHARMA (US) 1996-03-06 EP claimed
EP-0468457-A1 Novel substituted piperidines and their use as inhibitors of cholesterol synthesis MERRELL PHARMACEUTICALS INC. (US) 1992-01-29 EP claimed
EP-0468457-B1 Novel substituted piperidines and their use as inhibitors of cholesterol synthesis MERRELL DOW PHARMA (US) 1996-03-06 EP disclosed
EP-0468457-A1 Novel substituted piperidines and their use as inhibitors of cholesterol synthesis MERRELL PHARMACEUTICALS INC. (US) 1992-01-29 EP disclosed