SCHEMBL7592687

SCHEMBL7592687

CCCCCCCCCCc1ccc(CCCCCCCCCC)c2c1-c1nc-2nc2[nH]c(nc3nc(nc4[nH]c(n1)c1c(CCCCCCCCCC)ccc(CCCCCCCCCC)c41)-c1c(CCCCCCCCCC)ccc(CCCCCCCCCC)c1-3)c1c(-c3cccc(OC)c3)ccc(-c3cccc(OC)c3)c21

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GCGR P47871 1/20 0.41
CNR1 P21554 1/20 0.41
CNR2 P34972 1/20 0.41
MTNR1A P48039 1/20 0.40
MTNR1B P49286 1/20 0.40
ADORA3 P0DMS8 1/20 0.37
ADORA2A P29274 1/20 0.37
TLR8 Q9NR97 1/20 0.37
PTGS2 P35354 2/20 0.37
FPR1 P21462 2/20 0.37
MGAT2 Q10469 1/20 0.36
GRIN1 Q05586 1/20 0.36
GRIN2A Q12879 1/20 0.36
PTAFR P25105 1/20 0.35
DGAT2 Q96PD7 2/20 0.35
LRRK2 Q5S007 1/20 0.35
ELANE P08246 1/20 0.35
MAPT P10636 1/20 0.34
THRB P10828 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
SCHEMBL7573659 0.85 GCGR (0.40) GCGRCNR1CNR2MTNR1AMTNR1B
SCHEMBL7572122 0.83 GCGR (0.41) GCGRCNR1CNR2MTNR1AMTNR1B
SCHEMBL7597744 0.83 GCGR (0.41) GCGRCNR1CNR2MTNR1AMTNR1B
SCHEMBL7580690 0.80 KCNH2 (0.38) TLR8MAPT
SCHEMBL7056015 0.80 KCNH2 (0.38) TLR8MAPT
SCHEMBL7530621 0.80 KCNH2 (0.38) TLR8MAPT
SCHEMBL7717379 0.79 KCNH2 (0.37) TLR8MAPT
SCHEMBL7572175 0.79 KCNH2 (0.35) TLR8MAPT
SCHEMBL7533536 0.72 LIPG (0.34) TLR8MAPT
SCHEMBL7582390 0.72 GCGR (0.40) GCGRADORA3ADORA2ATLR8GRIN1

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-2002096913-A1 SUBSTITUTED DI(HYDROXY/ALKOXY)SILICON PHTHALOCYANINES AND THEIR USES GENTIAN AS (NO) 2002-12-05 WO disclosed