SCHEMBL29036784

SCHEMBL29036784

Oc1ccc(CN2CCOCC2)nc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 5/20 0.53
CXCR4 P61073 1/20 0.53
ALOX15 P16050 2/20 0.50
HSD17B10 Q99714 2/20 0.50
CYP2C9 P11712 1/20 0.50
HIF1A Q16665 1/20 0.48
EPAS1 Q99814 1/20 0.48
ALDH1A1 P00352 3/20 0.47
KDM4E B2RXH2 2/20 0.47
GAA P10253 2/20 0.47
GLA P06280 1/20 0.47
HPGD P15428 1/20 0.47
NPC1 O15118 2/20 0.44
KMT2A Q03164 2/20 0.43
LMNA P02545 1/20 0.43
MAPT P10636 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
MEN1 O00255 1/20 0.42
KCNH2 Q12809 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
SCHEMBL29036789 0.84 HRH3 (0.47) HRH3CXCR4ALOX15HSD17B10CYP2C9
SCHEMBL1856187 0.83 HRH3 (0.55) HRH3HSD17B10HIF1AALDH1A1KDM4E
SCHEMBL29036801 0.81 HRH3 (0.49) HRH3ALDH1A1KDM4EKMT2ALMNA
SCHEMBL20247033 0.81 HRH3 (0.51) HRH3CXCR4ALOX15HSD17B10CYP2C9
SCHEMBL110617 0.80 HRH3 (0.53) HRH3CXCR4ALOX15HSD17B10CYP2C9
SCHEMBL465732 0.80 HRH3 (0.53) HRH3CXCR4ALOX15HSD17B10CYP2C9
SCHEMBL13187501 0.80 HRH3 (0.53) HRH3CXCR4ALOX15HSD17B10CYP2C9
SCHEMBL12310670 0.80 HRH3 (0.53) HRH3CXCR4ALOX15HSD17B10CYP2C9
SCHEMBL13452765 0.80 HRH3 (0.53) HRH3CXCR4ALOX15HSD17B10CYP2C9
SCHEMBL29036793 0.80 AXL (0.45) HRH3ALDH1A1KDM4EGAANPC1

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
CN-116472267-A Butyrylcholinesterase reactivating agent 法兰西国由中央军队卫生服务局代表 2023-07-21 CN disclosed