SCHEMBL14720751

SCHEMBL14720751

COC(=O)c1ccc(C=C2CCN(C3CCC3)CC2)nc1

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 14/20 0.52
MAPK1 P28482 2/20 0.41
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
KMT2A Q03164 1/20 0.40
KDM4E B2RXH2 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
OGA O60502 1/20 0.39
ALDH1A1 P00352 1/20 0.39
POLB P06746 1/20 0.39

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
SCHEMBL14720689 0.83 HRH3 (0.55) HRH3L3MBTL1
SCHEMBL14723527 0.77 HRH3 (0.52) HRH3MAPK1L3MBTL1OGA
SCHEMBL14720705 0.76 ALDH1A1 (0.44) HRH3NPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL14720478 0.76 GRM5 (0.44) MAPK1NPC1RAB9ASMN1; SMN2KMT2A
SCHEMBL14720473 0.76 SRD5A2 (0.48) HRH3NPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL14721331 0.75 HRH3 (0.45) HRH3L3MBTL1
SCHEMBL14720367 0.75 HRH3 (0.42) HRH3KMT2APOLB
SCHEMBL5450221 0.74 HRH3 (0.55) HRH3
SCHEMBL9204223 0.74 HRH3 (0.73) HRH3NPC1RAB9AKMT2AOGA
SCHEMBL14721036 0.73 HRH3 (0.35) HRH3

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
WO-2013027001-A1 COMPOUNDS AND THEIR USE TO TREAT HISTAMINE H3 RELATED DISORDERS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-02-28 WO disclosed
WO-2013027001-A1 COMPOUNDS AND THEIR USE TO TREAT HISTAMINE H3 RELATED DISORDERS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-02-28 WO disclosed