SCHEMBL11066306

SCHEMBL11066306

c1ccc(SC2CCCCCCCN2C2CCCCCCCC2)cc1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SLC18A3 Q16572 1/20 0.40
HRH3 Q9Y5N1 1/20 0.38
HSD11B1 P28845 1/20 0.37
NPSR1 Q6W5P4 1/20 0.36
ALDH1A1 P00352 4/20 0.36
MCOLN3 Q8TDD5 1/20 0.35
MAPT P10636 1/20 0.35
HSD17B10 Q99714 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C19 P33261 1/20 0.35
CHRM2 P08172 1/20 0.35
CHRM1 P11229 1/20 0.35
MBTD1 Q05BQ5 1/20 0.34
L3MBTL3 Q96JM7 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34

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
SCHEMBL7437097 0.76 HSD11B1 (0.43) SLC18A3HSD11B1NPSR1ALDH1A1
SCHEMBL8818649 0.76 CARM1 (0.36) ALDH1A1MAPTHSD17B10MBTD1L3MBTL3
SCHEMBL3429469 0.75 USP30 (0.39) SLC18A3HRH3NPSR1MAPTMBTD1
SCHEMBL20855371 0.72 NPC1 (0.40) HRH3HSD11B1ALDH1A1
SCHEMBL18751629 0.70 SLC18A3 (0.51) SLC18A3HRH3NPSR1ALDH1A1MCOLN3
SCHEMBL1989282 0.70 SLC18A3 (0.51) SLC18A3HRH3NPSR1ALDH1A1MCOLN3
SCHEMBL3879514 0.70 HSD11B1 (0.54) SLC18A3HSD11B1NPSR1ALDH1A1MCOLN3
Hydrochloric Acid SCHEMBL28558595 0.69 SLC18A3 (0.50) SLC18A3HRH3NPSR1CYP2D6CYP2C19
SCHEMBL5788854 0.69 KMT2A (0.40) SLC18A3HRH3NPSR1MAPTMBTD1
SCHEMBL9153287 0.68 CHRNB2 (0.52) SLC18A3HRH3NPSR1CYP2D6CYP2C19

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-4468511-A C-20- And C-23-Modified macrolide derivatives ELI LILLY AND COMPANY (US) 1984-08-28 US disclosed