SCHEMBL4259249

SCHEMBL4259249

c1sc(C2CCN(C3CCCC3)CC2)nc1C1CCNCC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 1/20 0.41
HRH4 Q9H3N8 2/20 0.39
PLAT P00750 2/20 0.38
SLC18A3 Q16572 1/20 0.37
KMT2A Q03164 2/20 0.37
MEN1 O00255 1/20 0.37
BAZ2A Q9UIF9 1/20 0.35
OPRM1 P35372 2/20 0.34
OPRD1 P41143 2/20 0.34
OPRK1 P41145 2/20 0.34
OGFRL1 Q5TC84 2/20 0.34
HRH3 Q9Y5N1 1/20 0.34
AOC3 Q16853 1/20 0.34
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
PARP1 P09874 1/20 0.33
HPGD P15428 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
IRAK4 Q9NWZ3 1/20 0.32
CHRNB2 P17787 1/20 0.32

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
SCHEMBL2981775 0.89 SLC18A3 (0.44) SLC18A3OPRM1OPRD1OPRK1OGFRL1
SCHEMBL4262991 0.84 HRH4 (0.50) HPGDSHRH4PLATKMT2AMEN1
Bromide SCHEMBL2969089 0.83 HRH4 (0.49) HPGDSHRH4PLATKMT2AMEN1
SCHEMBL27868578 0.74 HPGDS (0.41) HPGDSHRH4PLATKMT2AMEN1
SCHEMBL23964566 0.74 MAPT (0.40) HPGDSHRH4PLATKMT2AMEN1
SCHEMBL2981893 0.73 SLC18A3 (0.50) HPGDSSLC18A3KMT2AMEN1NPC1
SCHEMBL2973505 0.73 HSD11B1 (0.49) HPGDSSLC18A3NPC1RAB9ASMN1; SMN2
SCHEMBL5072486 0.72 CYP2D6 (0.37) KMT2AMEN1HRH3NPC1RAB9A
SCHEMBL2976263 0.71 LDHA (0.42) SLC18A3KMT2AMEN1OPRM1OPRD1
SCHEMBL2986406 0.71 AR (0.43) HPGDSSLC18A3KMT2AMEN1HRH3

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-1945635-B1 THIAZOLYL PIPERIDINE DERIVATIVES USEFUL AS H3 RECEPTOR MODULATORS HOFFMANN LA ROCHE (CH) 2009-05-06 EP claimed