SCHEMBL11216643

SCHEMBL11216643

COc1ccccc1N1CCN(CC(COc2cc(OC)c(OC)c(OC)c2)OC(=O)c2cccnc2)CC1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.46
TSHR P16473 1/20 0.46
HSD17B10 Q99714 1/20 0.46
MAPT P10636 4/20 0.45
ALDH1A1 P00352 1/20 0.45
LMNA P02545 2/20 0.44
TP53 P04637 1/20 0.44
TACR3 P29371 1/20 0.44
MEN1 O00255 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C19 P33261 1/20 0.44
KMT2A Q03164 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
DRD2 P14416 1/20 0.43
DRD3 P35462 1/20 0.43
CACNA1G O43497 1/20 0.43
KCNH2 Q12809 1/20 0.43

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
SCHEMBL11214551 0.84 MAPT (0.53) ALOX15TSHRHSD17B10MAPTALDH1A1
Enciprazine SCHEMBL1649926 0.77 MAPT (0.71) ALOX15TSHRHSD17B10MAPTALDH1A1
Enciprazine SCHEMBL584730 0.76 MAPT (0.74) ALOX15TSHRHSD17B10MAPTALDH1A1
Enciprazine SCHEMBL29710915 0.76 MAPT (0.74) ALOX15TSHRHSD17B10MAPTALDH1A1
SCHEMBL10571472 0.76 DRD2 (0.61) MAPTLMNADRD2DRD3
Enciprazine SCHEMBL10569674 0.76 MAPT (0.76) ALOX15TSHRMAPTALDH1A1LMNA
Enciprazine SCHEMBL668369 0.76 MAPT (0.76) ALOX15TSHRMAPTALDH1A1LMNA
SCHEMBL11218869 0.75 HSP90AB1 (0.50) TSHRMAPTALDH1A1LMNAMEN1
SCHEMBL29386890 0.74 GAA (0.61) DRD2DRD3
SCHEMBL11212821 0.73 MAPT (0.62) ALOX15TSHRHSD17B10MAPTALDH1A1

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