SCHEMBL27365699

SCHEMBL27365699

COCCCN1CCN(c2ncc(C)cn2)CC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 3/20 0.53
HDAC6 Q9UBN7 1/20 0.48
DRD2 P14416 4/20 0.48
DRD1 P21728 2/20 0.48
DRD3 P35462 2/20 0.48
DRD5 P21918 1/20 0.48
HRH3 Q9Y5N1 6/20 0.47
HTR1A P08908 3/20 0.47
HTR2A P28223 2/20 0.47
GRM2 Q14416 1/20 0.44
ALDH1A1 P00352 2/20 0.43
CYP1A2 P05177 2/20 0.43
HSD17B10 Q99714 2/20 0.43
CYP2C9 P11712 1/20 0.43
TSHR P16473 1/20 0.43
HTR7 P34969 1/20 0.42
ADRA1A P35348 1/20 0.42
MEN1 O00255 1/20 0.41
USP2 O75604 1/20 0.41
KMT2A Q03164 1/20 0.41

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
SCHEMBL20463090 0.91 HDAC6 (0.53) SIGMAR1HDAC6DRD2DRD1DRD3
SCHEMBL27365286 0.82 DRD3 (0.50) SIGMAR1HDAC6DRD2DRD1DRD3
SCHEMBL13103868 0.81 DRD2 (0.71) SIGMAR1DRD2DRD1DRD3DRD5
SCHEMBL26341182 0.80 SIGMAR1 (0.45) SIGMAR1HDAC6DRD2DRD1DRD3
SCHEMBL27363701 0.79 HTR3A (0.45) SIGMAR1HDAC6HTR1AALDH1A1CYP1A2
SCHEMBL17972976 0.79 DHFR (0.49) SIGMAR1DRD2GRM2
SCHEMBL23696422 0.79 SIGMAR1 (0.45) SIGMAR1HDAC6DRD2DRD1DRD3
SCHEMBL22856124 0.79 SIGMAR1 (0.45) SIGMAR1HDAC6DRD2DRD1DRD3
SCHEMBL24508284 0.78 SIGMAR1 (0.44) SIGMAR1HDAC6DRD2DRD1DRD3
SCHEMBL25730366 0.78 SIGMAR1 (0.44) SIGMAR1HDAC6DRD2DRD1DRD3

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