SCHEMBL3864978

SCHEMBL3864978

COCCc1ccc(CO)cn1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 3/20 0.38
HRH3 Q9Y5N1 1/20 0.37
CYP3A4 P08684 1/20 0.37
RXRA P19793 1/20 0.37
CYP2D6 P10635 2/20 0.36
CYP1A2 P05177 1/20 0.36
NPC1 O15118 1/20 0.36
POLB P06746 1/20 0.36
RAB9A P51151 1/20 0.36
CBFB Q13951 1/20 0.35
MCHR1 Q99705 1/20 0.35
PDE4D Q08499 2/20 0.33
PDE2A O00408 1/20 0.33
PDE8A O60658 1/20 0.33
PDE5A O76074 1/20 0.33
PDE9A O76083 1/20 0.33
PDE6A P16499 1/20 0.33
HTR2C P28335 1/20 0.33
HTR7 P34969 1/20 0.33
HTR2B P41595 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
SCHEMBL10090163 0.84 HRH3 (0.53) PPARGHRH3CYP3A4RXRACYP2D6
SCHEMBL5109146 0.79 HRH3 (0.44) PPARGHRH3CYP3A4RXRACYP2D6
SCHEMBL31601511 0.78 PPARG (0.34) PPARGHRH3CYP3A4RXRACYP2D6
SCHEMBL4140258 0.76 CCR1 (0.41) HRH3CYP2D6CYP1A2NPC1POLB
SCHEMBL3916037 0.76 NPC1 (0.40) NPC1POLBRAB9APDE1B
SCHEMBL23525243 0.76 HRH3 (0.37) HRH3CYP2D6CYP1A2HTR2C
SCHEMBL6705826 0.76 HRH1 (0.44) HRH3CYP2D6CYP1A2ADRB2ADRA1A
SCHEMBL6935097 0.76 CCR1 (0.41) PDE4DPDE2APDE8APDE5APDE9A
SCHEMBL1844682 0.75 ACACB (0.45) HRH3NPC1POLBRAB9ACBFB
SCHEMBL22293298 0.75 HRH3 (0.34) PPARGHRH3RXRACYP2D6CYP1A2

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
US-7598382-B2 Aryl substituted imidazoquinolines COLEY PHARMACEUTICAL GROUP, INC. (US) 2009-10-06 US disclosed
US-7091214-B2 Aryl substituted Imidazoquinolines 3M INNOVATIVE PROPERTIES CO. (US) 2006-08-15 US disclosed