SCHEMBL8972506

SCHEMBL8972506

CC(C)CCNCCCCN1CCC(C(C)CO)CC1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GNAI3 P08754 4/20 0.37
GNAO1 P09471 4/20 0.37
GNAI1 P63096 4/20 0.37
FPR3 P25089 1/20 0.37
FPR2 P25090 1/20 0.37
RAD52 P43351 1/20 0.33
TP53 P04637 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
DRD2 P14416 1/20 0.33
DRD4 P21917 1/20 0.33
OPRM1 P35372 1/20 0.33
DRD3 P35462 1/20 0.33
PAOX Q6QHF9 1/20 0.33
OPRL1 P41146 1/20 0.32
GBA1 P04062 1/20 0.32
BCHE P06276 1/20 0.32
CHRM2 P08172 1/20 0.32
CHRM4 P08173 1/20 0.32
CHRM5 P08912 1/20 0.32
CHRM1 P11229 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
Hydrochloric Acid SCHEMBL8972944 0.99 GNAI3 (0.39) GNAI3GNAO1GNAI1FPR3FPR2
SCHEMBL8971745 0.81 FPR3 (0.36) GNAI3GNAO1GNAI1FPR3FPR2
Hydrochloric Acid SCHEMBL8972332 0.80 RAD52 (0.37) GNAI3GNAO1GNAI1FPR3FPR2
SCHEMBL8972354 0.79 TP53 (0.45) FPR3FPR2TP53SMN1; SMN2
Hydrochloric Acid SCHEMBL8972193 0.78 TP53 (0.44) FPR3FPR2RAD52TP53SMN1; SMN2
SCHEMBL8972329 0.76 GNAI3 (0.41) GNAI3GNAO1GNAI1SMN1; SMN2CHRM1
SCHEMBL8764645 0.76 HRH3 (0.48) FPR3FPR2RAD52TP53SMN1; SMN2
Hydrochloric Acid SCHEMBL8765083 0.74 HRH3 (0.47) FPR3FPR2RAD52TP53SMN1; SMN2
SCHEMBL8971755 0.74 DDAH1 (0.35) GNAI3GNAO1GNAI1OPRM1BCHE
Hydrochloric Acid SCHEMBL8972341 0.73 HRH3 (0.35) GNAI3GNAO1GNAI1OPRM1

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 6 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
CN-1058394-A Piperidines of new replacement and preparation method thereof and as the purposes of inhibitors of cholesterol synthesis MERRELL DOW PHARMA (US) 1992-02-05 CN 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
CN-1058394-A Piperidines of new replacement and preparation method thereof and as the purposes of inhibitors of cholesterol synthesis MERRELL DOW PHARMA (US) 1992-02-05 CN disclosed
EP-0468457-A1 Novel substituted piperidines and their use as inhibitors of cholesterol synthesis MERRELL PHARMACEUTICALS INC. (US) 1992-01-29 EP disclosed