SCHEMBL4755201

SCHEMBL4755201

CNc1nc([C@H]2CC[C@@H](C(F)(F)F)CC2)[nH]c(=O)c1-c1ccc(C#N)cc1

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 2/20 0.38
KIT P10721 10/20 0.35
PSD A5PKW4 1/20 0.34
USP30 Q70CQ3 3/20 0.33
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
MAPT P10636 1/20 0.32
HPGD P15428 1/20 0.32
UBE2N P61088 1/20 0.32
HSD17B10 Q99714 1/20 0.32
FASN P49327 2/20 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
SCHEMBL4756695 0.86 HSD11B1 (0.39) HSD11B1KITPSDUSP30KDM4E
SCHEMBL4755140 0.82 HSD11B1 (0.38) HSD11B1KITPSDUSP30FASN
SCHEMBL4753279 0.80 FASN (0.32) HSD11B1KITPSDUSP30KDM4E
SCHEMBL13746898 0.78 HSD11B1 (0.39) HSD11B1KITPSDKDM4EALDH1A1
SCHEMBL4756614 0.71 KDM4E (0.33) KDM4EALDH1A1HPGDHSD17B10
SCHEMBL13747135 0.69 HSD11B1 (0.35) HSD11B1KITKDM4EALDH1A1MAPT
SCHEMBL13985228 0.69 CRHR1 (0.35) HSD11B1
SCHEMBL13746941 0.67 EIF4E (0.36) PSD
SCHEMBL4753233 0.67 PDE9A (0.37) HSD11B1KITPSDUSP30KDM4E
SCHEMBL13746668 0.66 TYMS (0.36)

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
WO-2008156607-A1 SUBSTITUTED PYRIMIDINONES NEUROGEN CORPORATION (US) 2008-12-24 WO claimed