SCHEMBL4696767

SCHEMBL4696767

O=C(c1ccc(Br)cc1)N1CCCC1Cn1cccc1

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 7/20 0.49
HPGD P15428 2/20 0.44
CHRNB2 P17787 1/20 0.44
CHRNA7 P36544 1/20 0.44
CHRNA4 P43681 1/20 0.44
L3MBTL3 Q96JM7 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
SPHK2 Q9NRA0 1/20 0.42
KCNH2 Q12809 1/20 0.41
GAA P10253 1/20 0.41
MET P08581 1/20 0.41
ATR Q13535 1/20 0.40

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
SCHEMBL1799107 0.86 HRH3 (0.60) HRH3HPGDKCNH2MET
SCHEMBL1835474 0.86 HRH3 (0.60) HRH3HPGDKCNH2MET
SCHEMBL2340098 0.83 HRH3 (0.62) HRH3KCNH2METATR
SCHEMBL2340094 0.83 HRH3 (0.62) HRH3KCNH2METATR
SCHEMBL966970 0.82 SPHK2 (0.55) HPGDCHRNB2CHRNA7CHRNA4L3MBTL3
SCHEMBL966968 0.82 SPHK2 (0.55) HPGDCHRNB2CHRNA7CHRNA4L3MBTL3
SCHEMBL970102 0.82 SPHK2 (0.55) HPGDCHRNB2CHRNA7CHRNA4L3MBTL3
SCHEMBL970043 0.81 HPGD (0.49) HRH3HPGDCHRNB2CHRNA7CHRNA4
SCHEMBL970042 0.81 HPGD (0.49) HRH3HPGDCHRNB2CHRNA7CHRNA4
SCHEMBL968549 0.81 HPGD (0.49) HRH3HPGDCHRNB2CHRNA7CHRNA4

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-1904442-A1 HISTAMINE H3 RECEPTOR AGENTS, PREPARATION AND THERAPEUTIC USES ELI LILLY AND COMPANY (US) 2008-04-02 EP disclosed
WO-2007005503-A1 HISTAMINE H3 RECEPTOR AGENTS, PREPARATION AND THERAPEUTIC USES ELI LILLY AND COMPANY (US) 2007-01-11 WO disclosed