SCHEMBL4262991

SCHEMBL4262991

c1sc(C2CCNCC2)nc1C1CCCCC1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 3/20 0.50
HPGDS O60760 1/20 0.47
PLAT P00750 2/20 0.46
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
BAZ2A Q9UIF9 3/20 0.40
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
AOC3 Q16853 1/20 0.38
HRH3 Q9Y5N1 1/20 0.36
CHRNB2 P17787 1/20 0.36
CHRNA4 P43681 1/20 0.36
IDO1 P14902 1/20 0.34
C1S P09871 1/20 0.34
MAP4K3 Q8IVH8 1/20 0.33
USP7 Q93009 1/20 0.33

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
Bromide SCHEMBL2969089 0.98 HRH4 (0.49) HRH4HPGDSPLATMEN1KMT2A
SCHEMBL23964566 0.86 MAPT (0.40) HRH4HPGDSPLATMEN1KMT2A
SCHEMBL4259249 0.84 HPGDS (0.41) HRH4HPGDSPLATMEN1KMT2A
SCHEMBL27868578 0.82 HPGDS (0.41) HRH4HPGDSPLATMEN1KMT2A
SCHEMBL2981775 0.76 SLC18A3 (0.44) HRH3IDO1C1S
SCHEMBL27868564 0.74 HPGDS (0.40) HRH4HPGDSPLATMEN1KMT2A
SCHEMBL10699236 0.74 HRH4 (0.50) HRH4HPGDSPLATMEN1KMT2A
SCHEMBL22860589 0.74 HRH4 (0.42) HRH4HPGDSPLATMEN1KMT2A
SCHEMBL1042507 0.74 HPGDS (0.47) HPGDSMEN1KMT2ABAZ2ANPC1
SCHEMBL5458440 0.74 HPGDS (0.47) HRH4HPGDSMEN1KMT2ABAZ2A

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 2 patents. 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 disclosed
CN-101243078-A Thiazolyl piperidine derivatives useful as h3 receptor modulators HOFFMANN LA ROCHE (CH) 2008-08-13 CN disclosed