SCHEMBL8972223

SCHEMBL8972223

CC(CO)C1CCN(CCCC#N)CC1

nearest known ligand 0.67

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.44
ALDH1A1 P00352 1/20 0.38
PKM P14618 1/20 0.38
POLB P06746 2/20 0.35
MAPK1 P28482 1/20 0.34
GNAI3 P08754 2/20 0.33
GNAO1 P09471 2/20 0.33
GNAI1 P63096 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
TSHR P16473 1/20 0.32
KCNH2 Q12809 1/20 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
SCHEMBL8972329 0.79 GNAI3 (0.41) GNAI3GNAO1GNAI1SMN1; SMN2
SCHEMBL10540257 0.75 MAPT (0.53) MAPTALDH1A1PKMPOLB
SCHEMBL1842886 0.75 SMN1; SMN2 (0.44) SMN1; SMN2
SCHEMBL17877832 0.74 ALDH1A1 (0.56) MAPTALDH1A1PKMPOLBMAPK1
SCHEMBL9689240 0.74 GNAO1 (0.38) GNAI3GNAO1GNAI1KCNH2
SCHEMBL15925128 0.73 DPP4 (0.41) POLBKCNH2
SCHEMBL31719335 0.73 MAPT (0.55) MAPTALDH1A1PKMPOLBGNAI3
SCHEMBL8967209 0.73 NCF1 (0.38) GNAI3GNAO1GNAI1
SCHEMBL4500757 0.72 GNAO1 (0.49) MAPTALDH1A1PKMGNAI3GNAO1
SCHEMBL5672438 0.72

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