SCHEMBL7554518

SCHEMBL7554518

c1ccc(CN2CCN(CCOc3ccc(C4CCCCCN4)cc3)CC2)cc1

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 5/20 0.53
LTA4H P09960 7/20 0.50
ACHE P22303 3/20 0.48
BCHE P06276 2/20 0.48
MAOA P21397 1/20 0.48
MAOB P27338 1/20 0.48
TMEM97 Q5BJF2 1/20 0.46
SIGMAR1 Q99720 1/20 0.46
RAD52 P43351 1/20 0.46
MEN1 O00255 1/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
KMT2A Q03164 1/20 0.46

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
SCHEMBL7549907 0.84 HRH3 (0.47) HRH3LTA4HSIGMAR1
SCHEMBL7108018 0.77 HRH3 (0.43) HRH3LTA4H
SCHEMBL13499189 0.77 HRH3 (0.55) HRH3MEN1KMT2A
SCHEMBL3434009 0.75 HRH3 (0.48) HRH3LTA4HMEN1KMT2A
SCHEMBL4237405 0.74 LTA4H (0.72) HRH3LTA4HACHEBCHEMEN1
SCHEMBL8385088 0.73 LTA4H (0.44) LTA4HMEN1KMT2A
SCHEMBL13499191 0.73 HRH3 (0.56) HRH3MEN1KMT2A
SCHEMBL13149648 0.72 NPC1 (0.74) HRH3LTA4HMEN1NPC1RAB9A
SCHEMBL3574322 0.72 HRH3 (0.86) HRH3ACHERAD52
SCHEMBL14287716 0.71 HRH3 (0.83) HRH3ACHERAD52

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-1183259-A2 AZEPINOINDOLE DERIVATIVES, THE PRODUCTION AND USE THEREOF BASF AKTIENGESELLSCHAFT (DE) 2002-03-06 EP disclosed
WO-2001023390-A2 AZEPINOINDOLE DERIVATIVES, THE PRODUCTION AND USE THEREOF BASF AKTIENGESELLSCHAFT (DE) 2001-04-05 WO disclosed