SCHEMBL14720463

SCHEMBL14720463

O=C1CCCN1Cc1ccc(C=C2CCN(C3CCC3)CC2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.47
HRH3 Q9Y5N1 3/20 0.44
ACACB O00763 1/20 0.41
ACHE P22303 1/20 0.39
CDC7 O00311 1/20 0.38
PLK4 O00444 1/20 0.38
AURKA O14965 1/20 0.38
MAPK13 O15264 1/20 0.38
PDPK1 O15530 1/20 0.38
DYRK3 O43781 1/20 0.38
PRKD3 O94806 1/20 0.38
MAP4K4 O95819 1/20 0.38
PAK4 O96013 1/20 0.38
ERBB2 P04626 1/20 0.38
NTRK1 P04629 1/20 0.38
PRKCG P05129 1/20 0.38
FYN P06241 1/20 0.38
CSF1R P07333 1/20 0.38
RET P07949 1/20 0.38
IGF1R P08069 1/20 0.38

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
SCHEMBL14721179 0.98 L3MBTL1 (0.50) L3MBTL1HRH3ACACBACHECDC7
SCHEMBL14721980 0.88 HRH3 (0.43) L3MBTL1HRH3GRIA2SRD5A2KMT2A
SCHEMBL14720854 0.85 HRH3 (0.40) L3MBTL1HRH3GRIA2SRD5A2
SCHEMBL14722442 0.82 GRM2 (0.47) L3MBTL1HRH3SRD5A2LTA4HKMT2A
SCHEMBL14720649 0.82 FKBP1A (0.35) L3MBTL1HRH3SRD5A2KMT2AALDH1A1
SCHEMBL14720524 0.80 PDE4A (0.35) L3MBTL1SRD5A2CYP2C9MAPK1ALDH1A1
SCHEMBL14720525 0.80 PDE4A (0.35) L3MBTL1SRD5A2CYP2C9MAPK1ALDH1A1
SCHEMBL14720875 0.80 FKBP1A (0.38) HRH3SRD5A2KCNH2
SCHEMBL14720876 0.80 FKBP1A (0.38) HRH3SRD5A2KCNH2
SCHEMBL14720575 0.80 L3MBTL3 (0.51) L3MBTL1HRH3KMT2AALDH1A1

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