SCHEMBL4444104

SCHEMBL4444104

CC(C)(C)N1CCC(C#N)(C(=O)Nc2ccc(C(F)(F)F)cn2)CC1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 1/20 0.44
EPAS1 Q99814 1/20 0.44
GAA P10253 1/20 0.43
RAB9A P51151 2/20 0.43
PTGS1 P23219 1/20 0.43
NPC1 O15118 1/20 0.43
CNR1 P21554 1/20 0.42
CNR2 P34972 1/20 0.42
TRPV1 Q8NER1 4/20 0.42
NPY5R Q15761 1/20 0.42
DPP4 P27487 2/20 0.42
EPHX2 P34913 1/20 0.41
MAPT P10636 2/20 0.40
ALDH1A1 P00352 1/20 0.40
KDM4E B2RXH2 1/20 0.39
HSD11B1 P28845 2/20 0.39
MKNK1 Q9BUB5 1/20 0.39
DEGS1 O15121 1/20 0.39
HSD11B2 P80365 1/20 0.39

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
SCHEMBL3493008 0.86 RAB9A (0.46) HIF1AEPAS1GAARAB9APTGS1
SCHEMBL3493368 0.85 MAPT (0.46) HIF1AEPAS1GAACNR1CNR2
SCHEMBL2254610 0.72 RAB9A (0.50) HIF1AEPAS1GAARAB9APTGS1
SCHEMBL2252774 0.72 RAB9A (0.50) HIF1AEPAS1GAARAB9APTGS1
SCHEMBL3493778 0.72 JAK2 (0.53)
SCHEMBL3493858 0.71 USP30 (0.48)
SCHEMBL3494176 0.71 SYK (0.52) MAPT
SCHEMBL2255925 0.71 RAB9A (0.49) HIF1AEPAS1GAARAB9APTGS1
SCHEMBL4438985 0.70 RAB9A (0.47) GAARAB9ANPC1MAPTALDH1A1
SCHEMBL3494561 0.70 F13A1 (0.46) RAB9ANPC1MAPTALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2125820-A1 SUBSTITUTED PIPERIDINES CONTAINING A HETEROARYLAMIDE OR HETEROARYLPHENYL MOIETY Astex Therapeutics Limited (GB) 2009-12-02 EP disclosed
WO-2008075110-A1 SUBSTITUTED PIPERIDINES CONTAINING A HETEROARYLAMIDE OR HETEROARYLPHENYL MOIETY ASTEX THERAPEUTICS LIMITED (GB) 2008-06-26 WO disclosed