SCHEMBL21636271

SCHEMBL21636271

CCN(C=O)CC1CCCN(CCc2ccccc2)C1

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.53
MEN1 O00255 3/20 0.53
CARM1 Q86X55 1/20 0.46
PRMT6 Q96LA8 1/20 0.46
SLC6A3 Q01959 1/20 0.44
BCHE P06276 1/20 0.44
ACHE P22303 1/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
LTA4H P09960 1/20 0.44
EPHX2 P34913 1/20 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
SCHEMBL25740924 0.80 SLC6A3 (0.57) CARM1PRMT6SLC6A3BCHEACHE
SCHEMBL5870682 0.76 OPRD1 (0.62) SLC6A3ACHE
SCHEMBL5870685 0.76 OPRD1 (0.62) SLC6A3ACHE
SCHEMBL5870753 0.76 OPRD1 (0.62) SLC6A3ACHE
SCHEMBL4839281 0.76 OPRM1 (0.58) KMT2ASLC6A3
SCHEMBL7248339 0.76 CARM1 (0.70) CARM1PRMT6SLC6A3BCHE
Bromide SCHEMBL7247812 0.74 CARM1 (0.68) CARM1PRMT6SLC6A3BCHE
SCHEMBL6498997 0.74 LTA4H (0.48) KMT2ASLC6A3LTA4HEPHX2
SCHEMBL14947440 0.74 CARM1 (0.64) CARM1PRMT6SLC6A3BCHEACHE
SCHEMBL5870834 0.73 OPRM1 (0.55) SLC6A3

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020016315-A1 FUSED DIHYDROINDAZOLE DERIVATIVES HAVING MULTIMODAL ACTIVITY AGAINST PAIN ESTEVE PHARMACEUTICALS, S.A. (ES) 2020-01-23 WO disclosed