SCHEMBL10696876

SCHEMBL10696876

OCC(O)CN1CCNCCNCCNCC1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.61
ATM Q13315 1/20 0.61
SMN1; SMN2 Q16637 2/20 0.53
RAD52 P43351 1/20 0.46
ADRA2A P08913 1/20 0.44
ADRA2B P18089 1/20 0.44
ADRA2C P18825 1/20 0.44
BAX Q07812 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
POLB P06746 2/20 0.42
TP53 P04637 1/20 0.42
CYP3A4 P08684 1/20 0.42
ALOX15 P16050 1/20 0.42
MAPK1 P28482 1/20 0.42
IDO1 P14902 1/20 0.41
USP2 O75604 1/20 0.40
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38

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
SCHEMBL21757993 1.00 MAPT (0.61) MAPTATMSMN1; SMN2RAD52ADRA2A
SCHEMBL14034485 1.00 MAPT (0.61) MAPTATMSMN1; SMN2RAD52ADRA2A
SCHEMBL4400918 0.98 MAPT (0.64) MAPTATMSMN1; SMN2RAD52ADRA2A
SCHEMBL1361161 0.98 MAPT (0.64) MAPTATMSMN1; SMN2RAD52ADRA2A
SCHEMBL16908299 0.98 MAPT (0.64) MAPTATMSMN1; SMN2RAD52ADRA2A
SCHEMBL15553304 0.96 MAPT (0.61) MAPTATMSMN1; SMN2RAD52ADRA2A
SCHEMBL9493787 0.90 MAPT (0.67) MAPTATMSMN1; SMN2RAD52ADRA2A
SCHEMBL151400 0.89 SMN1; SMN2 (0.58) MAPTATMSMN1; SMN2RAD52BAX
SCHEMBL11438133 0.86 SMN1; SMN2 (0.60) MAPTATMSMN1; SMN2RAD52BAX
SCHEMBL9059747 0.85 MAPT (0.54) MAPTATMSMN1; SMN2RAD52ADRA2A

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
EP-0255471-A1 1,4,7,10-Tetraazacyclododecane-derivatives SCHERING AKTIENGESELLSCHAFT (DE) 1988-02-03 EP claimed