SCHEMBL9026121

SCHEMBL9026121

COc1ccc(OCCCN2CCCCC2)cc1C(N)c1cc2ccccc2o1

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 11/20 0.51
KCNH2 Q12809 1/20 0.51
XDH P47989 2/20 0.48
SLC6A2 P23975 1/20 0.46
SLC6A4 P31645 1/20 0.46
LTA4H P09960 1/20 0.46
TLR9 Q9NR96 1/20 0.45
DRD2 P14416 1/20 0.44
DRD3 P35462 1/20 0.44
MAOB P27338 3/20 0.44

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
SCHEMBL9026132 0.81 HRH3 (0.49) HRH3KCNH2XDHSLC6A2SLC6A4
SCHEMBL9026850 0.79 KDM4E (0.50)
SCHEMBL9220836 0.77 HTR2B (0.43) HRH3DRD2DRD3
SCHEMBL9026458 0.75 KDM4E (0.41) LTA4H
SCHEMBL9026935 0.74 HTR1A (0.58) SLC6A2SLC6A4DRD2DRD3
SCHEMBL1707180 0.72 HRH3 (0.58) HRH3KCNH2
SCHEMBL9025501 0.72 HPGD (0.50)
SCHEMBL9025085 0.71 RAB9A (0.43)
SCHEMBL9026001 0.71 KMT2A (0.42) DRD2
SCHEMBL9025551 0.71 KDM4E (0.43) SLC6A4

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-0711290-A1 METHYLGUANIDINE DERIVATIVES, METHODS FOR PREPARING SAME AND COMPOSITIONS CONTAINING SAID DERIVATIVES SANOFI (FR) 1996-05-15 EP disclosed
WO-1995004052-A1 METHYLGUANIDINE DERIVATIVES, METHODS FOR PREPARING SAME AND COMPOSITIONS CONTAINING SAID DERIVATIVES SANOFI (FR) 1995-02-09 WO disclosed