SCHEMBL5016419

SCHEMBL5016419

CCC(C(=O)N1N(Cc2ccc(F)c(F)c2)C(=O)OC12CCCCC2)c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.41
TSHR P16473 3/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
LMNA P02545 2/20 0.37
MAPK1 P28482 1/20 0.37
RECQL P46063 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
BCHE P06276 1/20 0.36
GAA P10253 1/20 0.36
KCNQ2 O43526 1/20 0.36
METAP2 P50579 2/20 0.35
P2RX7 Q99572 1/20 0.34
HTT P42858 1/20 0.34
KDM4E B2RXH2 1/20 0.34
HSD17B10 Q99714 1/20 0.34
SIGMAR1 Q99720 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
SCHEMBL5016389 0.77 ALDH1A1 (0.35) ALDH1A1TSHRL3MBTL1LMNAMAPK1
SCHEMBL1086088 0.76 ALDH1A1 (0.48) ALDH1A1TSHRL3MBTL1LMNAMAPK1
SCHEMBL5013588 0.75 HSD11B1 (0.42) ALDH1A1LMNAHTTSIGMAR1
SCHEMBL5012778 0.74 TP53 (0.37) ALDH1A1LMNARECQLHTTSIGMAR1
SCHEMBL5013535 0.72 ALDH1A1 (0.39) ALDH1A1HTTKDM4ESIGMAR1
SCHEMBL5015096 0.70 KMT2A (0.37) ALDH1A1TSHRL3MBTL1LMNAP2RX7
SCHEMBL5011651 0.67 CHRM2 (0.44) ALDH1A1TSHRL3MBTL1LMNAMAPK1
SCHEMBL5011764 0.67 HTT (0.44) ALDH1A1TSHRL3MBTL1LMNAHTT
SCHEMBL5011708 0.65 CYP1A2 (0.45) ALDH1A1TSHRL3MBTL1LMNAHTT
SCHEMBL5066934 0.65 KMT2A (0.35) LMNA

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