SCHEMBL11086673

SCHEMBL11086673

O=C(c1ccc(OCc2ccccc2)c(Cl)c1)N1CCNCC1

nearest known ligand 0.59

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 2/20 0.59
HPGD P15428 3/20 0.58
USP2 O75604 1/20 0.56
MGLL Q99685 2/20 0.54
HSD17B10 Q99714 1/20 0.54
KCNH2 Q12809 1/20 0.54
ALDH1A1 P00352 2/20 0.52
MAPT P10636 2/20 0.52
LMNA P02545 1/20 0.52
TSHR P16473 1/20 0.52
HTT P42858 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
SIGMAR1 Q99720 1/20 0.51
MRGPRX4 Q96LA9 3/20 0.50
ATM Q13315 1/20 0.49

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
SCHEMBL23067450 0.89 HSD17B10 (0.67) PARP1HPGDHSD17B10ALDH1A1MAPT
SCHEMBL11091860 0.85 NPC1 (0.63) PARP1HPGDHSD17B10ALDH1A1SMN1; SMN2
SCHEMBL28406248 0.82 PARP1 (0.59) PARP1HPGDHSD17B10ALDH1A1MAPT
SCHEMBL5851806 0.80 SLC6A7 (0.66) PARP1HPGDMGLLALDH1A1MAPT
SCHEMBL11085975 0.80 ALDH1A1 (0.74) PARP1MGLLALDH1A1LMNAHTT
SCHEMBL15566861 0.79 LRRK2 (0.54) HPGDALDH1A1MAPTLMNA
SCHEMBL243754 0.78 MRGPRX4 (0.73) HPGDHSD17B10MAPTHTTSMN1; SMN2
SCHEMBL11088706 0.78 PARP1 (0.66) PARP1LMNASMN1; SMN2SIGMAR1
SCHEMBL27964892 0.78 SIGMAR1 (0.63) HPGDMGLLALDH1A1MAPTLMNA
Hydrochloric Acid SCHEMBL9647665 0.77 MRGPRX4 (0.71) HPGDHSD17B10MAPTHTTSMN1; SMN2

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-4426382-A HYPOTENSIVE AGENTS SANKYO COMPANY LIMITED (JP) 1984-01-17 US disclosed