SCHEMBL8971745

SCHEMBL8971745

CC(C)CCC(=N)NCCCCN1CCC(C(C)CO)CC1

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
FPR3 P25089 1/20 0.36
FPR2 P25090 1/20 0.36
TP53 P04637 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
RAD52 P43351 1/20 0.35
GNAI3 P08754 2/20 0.32
GNAO1 P09471 2/20 0.32
GNAI1 P63096 2/20 0.32
USP2 O75604 1/20 0.32
CCR3 P51677 1/20 0.30
DRD2 P14416 1/20 0.30
DRD4 P21917 1/20 0.30
SIGMAR1 Q99720 2/20 0.30

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 SCHEMBL8972332 0.99 RAD52 (0.37) FPR3FPR2TP53SMN1; SMN2RAD52
SCHEMBL8972506 0.81 GNAI3 (0.37) FPR3FPR2TP53SMN1; SMN2RAD52
SCHEMBL8763757 0.80 FPR3 (0.46) FPR3FPR2TP53SMN1; SMN2RAD52
Hydrochloric Acid SCHEMBL8972944 0.80 GNAI3 (0.39) FPR3FPR2TP53SMN1; SMN2RAD52
SCHEMBL8972354 0.77 TP53 (0.45) FPR3FPR2TP53SMN1; SMN2
SCHEMBL8764666 0.76 SMN1; SMN2 (0.45) FPR3FPR2TP53SMN1; SMN2RAD52
Hydrochloric Acid SCHEMBL8972193 0.76 TP53 (0.44) FPR3FPR2TP53SMN1; SMN2RAD52
SCHEMBL8971755 0.74 DDAH1 (0.35) GNAI3GNAO1GNAI1
Hydrochloric Acid SCHEMBL8972341 0.73 HRH3 (0.35) GNAI3GNAO1GNAI1
SCHEMBL8972329 0.71 GNAI3 (0.41) SMN1; SMN2GNAI3GNAO1GNAI1SIGMAR1

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