SCHEMBL6166122

SCHEMBL6166122

Cc1ccc(N2CCCCC2CCOc2ccc3nc(Cl)cnc3c2)nn1

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 3/20 0.37
FFAR1 O14842 1/20 0.35
HCRTR2 O43614 2/20 0.35
CHEK2 O96017 5/20 0.34
CHRNB1 P11230 2/20 0.34
CHRNB2 P17787 2/20 0.34
CHRNB4 P30926 2/20 0.34
CHRNA3 P32297 2/20 0.34
CHRNA4 P43681 2/20 0.34
CHRNB3 Q05901 2/20 0.34
ADORA2A P29274 1/20 0.34
ADORA1 P30542 1/20 0.34
PDE2A O00408 4/20 0.33
PDE10A Q9Y233 4/20 0.33
PPARG P37231 1/20 0.33
PPARD Q03181 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
SCHEMBL1665706 0.83 PPARG (0.42) CHEK2PDE2APDE10APPARGPPARD
SCHEMBL13021436 0.72 PPARG (0.43) CHEK2PDE2APDE10APPARGPPARD
SCHEMBL1664257 0.70 PPARG (0.37) CHEK2PDE2APPARGPPARD
SCHEMBL5884528 0.70 FFAR1 (0.39) HCRTR1FFAR1HCRTR2CHRNB1CHRNB2
SCHEMBL13021438 0.67 PPARG (0.39) CHEK2PDE2APPARGPPARD
SCHEMBL12796417 0.67 PPARG (0.37) CHEK2PDE2APPARGPPARD
SCHEMBL16536568 0.66 ALDH1A1 (0.45) PDE2APDE10A
SCHEMBL14499355 0.65 PPARG (0.39) CHEK2PDE2APPARGPPARD
SCHEMBL12619638 0.63 PPARG (0.37) CHEK2PPARGPPARD
SCHEMBL10327520 0.63 NR1I2 (0.43) PDE2APPARGPPARD

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1353911-A4 ANTIVIRAL AGENTS BIOTA SCIENT MANAGEMENT (AU) 2005-01-05 EP disclosed
EP-1353911-A1 ANTIVIRAL AGENTS BIOTA SCIENTIFIC MANAGEMENT PTY. LTD. (AU) 2003-10-22 EP disclosed
WO-2002050045-A1 ANTIVIRAL AGENTS BIOTA SCIENTIFIC MANAGEMENT PTY LTD (AU) 2002-06-27 WO disclosed