SCHEMBL27363069

SCHEMBL27363069

CNC1CCC(N2CCN(c3ncc(CC(CCN4CCN(c5ncc(C)cn5)CC4)OC)cn3)CC2)CC1

nearest known ligand 0.33

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 3/20 0.33
TRPV6 Q9H1D0 1/20 0.32
DRD2 P14416 4/20 0.31
DRD3 P35462 1/20 0.31
DRD4 P21917 4/20 0.31
HTR1A P08908 1/20 0.31
HTR2A P28223 1/20 0.31
HRH3 Q9Y5N1 1/20 0.31
FGFR3 P22607 1/20 0.31
KCNH2 Q12809 1/20 0.31
HDAC6 Q9UBN7 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
SCHEMBL27363631 0.79 DRD2 (0.40) TRPV6DRD2DRD3HRH3KCNH2
SCHEMBL82021 0.71 GPR119 (0.44) TRPV6DRD2DRD3HRH3KCNH2
SCHEMBL12525108 0.67 GPR119 (0.47) KCNH2
SCHEMBL82297 0.66 GPR119 (0.41) TRPV6HRH3KCNH2
SCHEMBL20463090 0.64 HDAC6 (0.53) SIGMAR1DRD2DRD3HRH3HDAC6
SCHEMBL27363160 0.62 FGFR3 (0.37) TRPV6HTR1AHRH3FGFR3KCNH2
SCHEMBL17972976 0.62 DHFR (0.49) SIGMAR1DRD2
SCHEMBL27363701 0.62 HTR3A (0.45) SIGMAR1HTR1AHDAC6
SCHEMBL27365699 0.62 SIGMAR1 (0.53) SIGMAR1DRD2DRD3HTR1AHTR2A
SCHEMBL20064017 0.61 HRH4 (0.44) HRH3KCNH2

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