SCHEMBL27363063

SCHEMBL27363063

Cc1cnc(N2CCC3(CCN(CC4CCN(C)CC4)CC3)CC2)nc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 2/20 0.36
GPR119 Q8TDV5 2/20 0.35
CYP3A4 P08684 4/20 0.35
CYP2D6 P10635 2/20 0.35
TLR9 Q9NR96 1/20 0.35
TLR8 Q9NR97 1/20 0.35
TLR7 Q9NYK1 1/20 0.35
TSHR P16473 1/20 0.35
TYRO3 Q06418 1/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
OPRM1 P35372 2/20 0.34
OPRD1 P41143 2/20 0.34
OPRK1 P41145 2/20 0.34
OPRL1 P41146 2/20 0.34
CACNA2D1 P54289 1/20 0.34
CACNA1B Q00975 1/20 0.34
CACNB1 Q02641 1/20 0.34
CACNA1C Q13936 1/20 0.34
HSD17B10 Q99714 4/20 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
SCHEMBL27363067 0.88 GPR119 (0.41) KCNH2GPR119CYP3A4TLR9TLR8
SCHEMBL27363464 0.88 CASP1 (0.42) KCNH2GPR119CYP3A4CACNA2D1CACNA1B
SCHEMBL27363461 0.85 KCNH2 (0.42) KCNH2GPR119CYP3A4CYP2D6MEN1
SCHEMBL27363571 0.84 GPR119 (0.45) KCNH2GPR119TLR9TLR8TLR7
SCHEMBL25510868 0.82 CYP3A4 (0.45) GPR119CYP3A4CYP2D6TSHRMEN1
SCHEMBL27366337 0.79 PDE10A (0.43) KCNH2GPR119TYRO3OPRM1OPRD1
SCHEMBL27364407 0.79 EBP (0.44) OPRM1OPRD1OPRK1OPRL1CACNA2D1
SCHEMBL15759139 0.78 CHRM5 (0.46) KCNH2GPR119CASP1CASP4CASP5
SCHEMBL27362872 0.77 ACHE (0.47) KCNH2GPR119TSHRALDH1A1CASP1
SCHEMBL14996488 0.77 NCF1 (0.43) KCNH2CYP2D6TSHROPRM1OPRK1

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-2024054591-A1 RAPIDLY ACCELERATED FIBROSARCOMA (RAF) DEGRADING COMPOUNDS AND ASSOCIATED METHODS OF USE ARVINAS OPERATIONS, INC. (US) 2024-03-14 WO disclosed