SCHEMBL5012929

SCHEMBL5012929

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

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.34
CNR1 P21554 3/20 0.33
CNR2 P34972 3/20 0.33
CCR5 P51681 2/20 0.33
HTT P42858 2/20 0.33
HDAC4 P56524 1/20 0.31
LMNA P02545 2/20 0.31
THRB P10828 1/20 0.31
NPC1 O15118 1/20 0.30
RAB9A P51151 1/20 0.30

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
SCHEMBL5011764 0.90 HTT (0.44) HPGDL3MBTL1CNR1CNR2HTT
SCHEMBL5066934 0.74 KMT2A (0.35) CNR1CNR2LMNATHRB
SCHEMBL1086498 0.73 HPGD (0.46) HPGDCCR5
SCHEMBL5011708 0.67 CYP1A2 (0.45) HPGDL3MBTL1HTTLMNATHRB
SCHEMBL5012930 0.66 CNR2 (0.38) HPGDCNR1CNR2
SCHEMBL5011747 0.66 KCNK3 (0.40) HPGDLMNA
SCHEMBL5011879 0.65 KMT2A (0.38) HPGDLMNA
SCHEMBL5011651 0.64 CHRM2 (0.44) L3MBTL1LMNA
SCHEMBL5060789 0.64 PTPN1 (0.41)
SCHEMBL5016389 0.63 ALDH1A1 (0.35) L3MBTL1HTTLMNARAB9A

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