SCHEMBL4756695

SCHEMBL4756695

Cc1nc([C@H]2CC[C@@H](C(F)(F)F)CC2)[nH]c(=O)c1-c1ccc(C#N)cc1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.39
KIT P10721 3/20 0.36
FASN P49327 7/20 0.36
PSD A5PKW4 1/20 0.36
USP30 Q70CQ3 3/20 0.34
PDE9A O76083 1/20 0.34
KDM1A O60341 1/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
GLA P06280 1/20 0.34
POLB P06746 1/20 0.34
GAA P10253 1/20 0.34
HPGD P15428 1/20 0.34
HSD17B10 Q99714 1/20 0.34

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
SCHEMBL4755201 0.86 HSD11B1 (0.38) HSD11B1KITFASNPSDUSP30
SCHEMBL4755140 0.84 HSD11B1 (0.38) HSD11B1KITFASNPSDUSP30
SCHEMBL4756614 0.84 KDM4E (0.33) KDM4EALDH1A1GLAPOLBGAA
SCHEMBL13746898 0.83 HSD11B1 (0.39) HSD11B1KITFASNPSDPDE9A
SCHEMBL4753233 0.81 PDE9A (0.37) HSD11B1KITPSDUSP30PDE9A
SCHEMBL4753259 0.74 PIK3CA (0.35) PDE9A
SCHEMBL13747135 0.73 HSD11B1 (0.35) HSD11B1KITFASNPDE9AKDM4E
SCHEMBL13746012 0.69 PIK3CA (0.36) PDE9A
SCHEMBL4022798 0.68 HSD11B1 (0.37) HSD11B1
SCHEMBL13747129 0.68 TYMS (0.38) PSD

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