SCHEMBL24204686

SCHEMBL24204686

CN1CCN(C2CN(C(=O)C3CN(I)C3)C2)CC1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.40
LMNA P02545 1/20 0.39
DPP4 P27487 1/20 0.39
CYP1A2 P05177 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
ALDH1A1 P00352 1/20 0.34
HRH3 Q9Y5N1 1/20 0.34
CHRNB2 P17787 5/20 0.33
CHRNA3 P32297 5/20 0.33
CHRNA4 P43681 5/20 0.33
CHRNB3 Q05901 4/20 0.33
CHRNA6 Q15825 4/20 0.33
L3MBTL3 Q96JM7 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
HSD11B1 P28845 1/20 0.33
EPHX2 P34913 1/20 0.31
CHRNB4 P30926 1/20 0.31
CHRNA7 P36544 1/20 0.31
POLB P06746 1/20 0.31

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
SCHEMBL24204376 0.88 HTT (0.43) HTTLMNADPP4CYP1A2TDP1
SCHEMBL24207501 0.83 CHRNB2 (0.33) HRH3CHRNB2CHRNA3CHRNA4CHRNB3
SCHEMBL27350123 0.78 CYP1A2 (0.41) HTTLMNADPP4CYP1A2TDP1
SCHEMBL6840185 0.74 CYP1A2 (0.58) HTTDPP4CYP1A2TDP1ALDH1A1
SCHEMBL25075304 0.74 HTT (0.38) HTTLMNADPP4CYP1A2TDP1
SCHEMBL26042842 0.71 L3MBTL3 (0.54) HTTLMNAALDH1A1HRH3L3MBTL3
SCHEMBL24206985 0.71 HTT (0.49) HTTLMNAALDH1A1HRH3L3MBTL3
SCHEMBL24204568 0.71 HTT (0.49) HTTLMNAALDH1A1HRH3L3MBTL3
SCHEMBL26748102 0.71 ALDH1A1 (0.36) ALDH1A1L3MBTL3L3MBTL1
SCHEMBL19203828 0.70 HTT (0.61) HTTLMNAALDH1A1HRH3CHRNB2

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-2022012623-A1 DEGRADATION OF (EGFR) BY CONJUGATION OF EGFR INHIBITORS WITH E3 LIGASE LIGAND AND METHODS OF USE BEIGENE, LTD. (KY) 2022-01-20 WO disclosed