SCHEMBL23964303

SCHEMBL23964303

CCc1cncnc1N1CCN(Cc2cc3ccc(OCCC4(CCC#CC#CCCC5(CCOc6cncnc6N6CCN(Cc7cc8ccccc8[nH]7)CC6)N=N5)N=N4)cc3[nH]2)CC1

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
RPS6KB1 P23443 1/20 0.38
DRD2 P14416 12/20 0.36
DRD3 P35462 12/20 0.36
HRH4 Q9H3N8 1/20 0.35
DRD4 P21917 4/20 0.34
ALDH1A1 P00352 1/20 0.34
POLB P06746 1/20 0.34
STAT3 P40763 1/20 0.34
KMT2A Q03164 1/20 0.34
KDM4E B2RXH2 1/20 0.34
GAA P10253 1/20 0.34

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
SCHEMBL30297617 0.87 RPS6KB1 (0.42) RPS6KB1DRD2DRD3DRD4
SCHEMBL23932483 0.87 RPS6KB1 (0.42) RPS6KB1DRD2DRD3DRD4
SCHEMBL30297614 0.83 HRH4 (0.40) DRD2DRD3HRH4DRD4KDM4E
SCHEMBL23932543 0.83 HRH4 (0.40) DRD2DRD3HRH4DRD4KDM4E
SCHEMBL30041365 0.79 RPS6KB1 (0.55) RPS6KB1DRD2DRD3HRH4DRD4
SCHEMBL23964268 0.79 RPS6KB1 (0.42) RPS6KB1DRD2DRD3DRD4
SCHEMBL30041144 0.78 RPS6KB1 (0.49) RPS6KB1DRD2DRD3DRD4
SCHEMBL23964160 0.78 RPS6KB1 (0.49) RPS6KB1DRD2DRD3DRD4
SCHEMBL23964270 0.76 RPS6KB1 (0.51) RPS6KB1DRD2DRD3HRH4DRD4
SCHEMBL23964241 0.74 HRH4 (0.40) DRD2DRD3HRH4DRD4KDM4E

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
WO-2021216665-A9 COLLAGEN 1 TRANSLATION INHIBITORS AND METHODS OF USE THEREOF ANIMA BIOTECH INC. (US) 2021-12-02 WO disclosed
WO-2021216665-A1 COLLAGEN 1 TRANSLATION INHIBITORS AND METHODS OF USE THEREOF ANIMA BIOTECH INC. (US) 2021-10-28 WO disclosed