SCHEMBL5016264

SCHEMBL5016264

Cc1ccc(C(=O)N2N(Cc3ccc(C#N)cc3)C(=O)OC23CCCCC3)c(F)c1F

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.38
CNR2 P34972 2/20 0.37
CNR1 P21554 1/20 0.37
CYP3A4 P08684 9/20 0.36
CYP2C19 P33261 4/20 0.36
ALDH1A1 P00352 4/20 0.36
MAPK1 P28482 3/20 0.36
HSD17B10 Q99714 1/20 0.36
CYP2C9 P11712 4/20 0.35
CYP1A2 P05177 4/20 0.35
TSHR P16473 3/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
USP2 O75604 6/20 0.35
CYP2D6 P10635 5/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
HIF1A Q16665 1/20 0.35
GLA P06280 1/20 0.34
METAP2 P50579 1/20 0.34
KLKB1 P03952 1/20 0.33

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
SCHEMBL5012929 0.88 HPGD (0.40) HPGDCNR2CNR1
SCHEMBL5011764 0.88 HTT (0.44) HPGDCNR2CNR1ALDH1A1TSHR
SCHEMBL5012930 0.79 CNR2 (0.38) HPGDCNR2CNR1CYP3A4CYP2C19
SCHEMBL5013344 0.76 CNR2 (0.38) HPGDCNR2CNR1CYP3A4CYP2C19
SCHEMBL1085854 0.75 HPGD (0.44) HPGDCYP3A4CYP2C19ALDH1A1MAPK1
SCHEMBL5170031 0.74 MAPK14 (0.49) ALDH1A1MAPK1
SCHEMBL1086788 0.65 USP2 (0.45) CYP3A4CYP2C19ALDH1A1MAPK1CYP2C9
SCHEMBL5011708 0.65 CYP1A2 (0.45) HPGDCYP2C19ALDH1A1CYP1A2TSHR
SCHEMBL5011747 0.64 KCNK3 (0.40) HPGDCYP3A4CYP2C19ALDH1A1CYP2C9
SCHEMBL5011879 0.64 KMT2A (0.38) HPGDALDH1A1MAPK1HSD17B10TSHR

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-1910381-A2 SUBSTITUTED 1-OXA-3,8-DIAZASPIRO[4.5]-DECAN-2-ON- COMPOUNDS AND THE USE THEREOF FOR PRODUCING DRUGS Grünenthal GmbH (DE) 2008-04-16 EP disclosed
WO-2007000325-A2 SUBSTITUTED 1-OXA-3,8-DIAZASPIRO[4.5]-DECAN-2-ON- COMPOUNDS AND THE USE THEREOF FOR PRODUCING DRUGS Grünenthal GmbH (DE) 2007-01-04 WO disclosed