SCHEMBL9689240

SCHEMBL9689240

CC(CO)C1CCN(CCCCCCCCCCCC(F)(F)F)CC1

nearest known ligand 0.70

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
GNAO1 P09471 8/20 0.38
GNAI3 P08754 7/20 0.38
GNAI1 P63096 7/20 0.38
KCNH2 Q12809 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
SCHEMBL8972329 0.78 GNAI3 (0.41) GNAO1GNAI3GNAI1
SCHEMBL14893358 0.78 KDM1A (0.33)
SCHEMBL15925128 0.76 DPP4 (0.41) KCNH2
SCHEMBL8972223 0.74 MAPT (0.44) GNAO1GNAI3GNAI1KCNH2
SCHEMBL22930466 0.72 GNAO1 (0.42) GNAO1GNAI3GNAI1KCNH2
SCHEMBL1842886 0.71 SMN1; SMN2 (0.44)
SCHEMBL8972506 0.71 GNAI3 (0.37) GNAO1GNAI3GNAI1
SCHEMBL18533791 0.71 TLR9 (0.36) GNAO1GNAI3GNAI1
Hydrochloric Acid SCHEMBL8972944 0.70 GNAI3 (0.39) GNAO1GNAI3GNAI1
SCHEMBL24490092 0.70 GNAO1 (0.43) GNAO1GNAI3GNAI1KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0468457-A1 Novel substituted piperidines and their use as inhibitors of cholesterol synthesis MERRELL PHARMACEUTICALS INC. (US) 1992-01-29 EP disclosed