SCHEMBL23944117

SCHEMBL23944117

COc1ccc(CN2CCNCC2)nc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.49
ADRB1 P08588 2/20 0.45
HTR3E A5X5Y0 1/20 0.45
HTR3B O95264 1/20 0.45
HTR3A P46098 1/20 0.45
HTR3D Q70Z44 1/20 0.45
HTR3C Q8WXA8 1/20 0.45
SIGMAR1 Q99720 1/20 0.45
CYP1A2 P05177 1/20 0.44
CHRM2 P08172 1/20 0.44
SLC6A4 P31645 1/20 0.44
OPRD1 P41143 1/20 0.44
OPRK1 P41145 1/20 0.44
APOBEC3A P31941 1/20 0.43
CTDSP1 Q9GZU7 1/20 0.43
APOBEC3G Q9HC16 1/20 0.43
CXCR4 P61073 2/20 0.42
LTA4H P09960 2/20 0.42
PDE1B Q01064 1/20 0.42
KDM5C P41229 1/20 0.42

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
SCHEMBL28048548 0.86 HRH3 (0.64) HRH3LTA4HKCNH2
SCHEMBL18713086 0.83 LTA4H (0.54) HRH3SIGMAR1LTA4HKCNH2
SCHEMBL23179559 0.82 HRH3 (0.49) HRH3SIGMAR1IKZF2KCNH2
SCHEMBL15483888 0.81 KDM4E (0.50) HRH3PDE1BKCNH2
SCHEMBL20160684 0.80 CXCR4 (0.49) HRH3ADRB1SIGMAR1CHRM2CXCR4
SCHEMBL23179756 0.79 HRH3 (0.47) HRH3LTA4HIKZF2KCNH2
SCHEMBL22812069 0.79 HRH3 (0.47) HRH3SIGMAR1SLC6A4LTA4HIKZF2
SCHEMBL18705095 0.79 HRH3 (0.52) HRH3SIGMAR1LTA4HKCNH2
SCHEMBL23126249 0.78 HRH3 (0.46) HRH3SIGMAR1LTA4HIKZF2KCNH2
SCHEMBL20328040 0.77 HRH3 (0.45) HRH3SIGMAR1LTA4HKCNH2

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-2021208963-A1 BCL-2 INHIBITOR BEIGENE, LTD. (KY) 2021-10-21 WO disclosed