SCHEMBL11215922

SCHEMBL11215922

COc1cc(OCC(O)CN2CCN(c3ccccc3N)CC2)cc(OC)c1OC

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 10/20 0.61
ALDH1A1 P00352 2/20 0.61
KCNH2 Q12809 2/20 0.57
CACNA1G O43497 1/20 0.57
LMNA P02545 5/20 0.57
MEN1 O00255 4/20 0.57
KMT2A Q03164 4/20 0.57
HSP90AB1 P08238 1/20 0.56
MAPK1 P28482 3/20 0.55
KDM4E B2RXH2 3/20 0.55
TDP1 Q9NUW8 2/20 0.55
HIF1A Q16665 2/20 0.55
TP53 P04637 2/20 0.55
CYP3A4 P08684 2/20 0.55
CYP2C19 P33261 2/20 0.55
NR1I2 O75469 1/20 0.55
NR3C1 P04150 1/20 0.55
ADRB1 P08588 1/20 0.55
HTR1A P08908 1/20 0.55
ADRA2A P08913 1/20 0.55

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
Enciprazine SCHEMBL584730 0.90 MAPT (0.74) MAPTALDH1A1KCNH2CACNA1GLMNA
Enciprazine SCHEMBL29710915 0.90 MAPT (0.74) MAPTALDH1A1KCNH2CACNA1GLMNA
Enciprazine SCHEMBL10569674 0.89 MAPT (0.76) MAPTALDH1A1KCNH2CACNA1GLMNA
Enciprazine SCHEMBL668369 0.89 MAPT (0.76) MAPTALDH1A1KCNH2CACNA1GLMNA
Enciprazine SCHEMBL1649926 0.88 MAPT (0.71) MAPTALDH1A1KCNH2CACNA1GLMNA
SCHEMBL11212942 0.84 HSP90AB1 (0.61) MAPTALDH1A1KCNH2CACNA1GLMNA
SCHEMBL11212821 0.84 MAPT (0.62) MAPTALDH1A1KCNH2CACNA1GLMNA
SCHEMBL11213511 0.83 MAPT (0.60) MAPTALDH1A1KCNH2CACNA1GLMNA
SCHEMBL8611873 0.81 MAPT (0.73) MAPTALDH1A1KCNH2CACNA1GLMNA
SCHEMBL29074454 0.80 MAPT (0.71) MAPTALDH1A1KCNH2CACNA1GLMNA

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
US-4335126-A SEDATIVES, TRANQUILIZERS, AND ANTIPYRETICS; NEUROLEPTIC AND ANTIEDEMIC AGENTS DEGUSSA AKTIENGESELLSCHAFT (DE) 1982-06-15 US disclosed