SCHEMBL11464650

SCHEMBL11464650

CCN(CC)CC(=O)Nn1nnc2ccccc21

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP4Z1 Q86W10 9/20 0.48
CYP1A2 P05177 1/20 0.45
CYP2C8 P10632 1/20 0.45
CYP2B6 P20813 1/20 0.45
CYP4F8 P98187 1/20 0.45
CYP4F12 Q9HCS2 1/20 0.45
USP2 O75604 1/20 0.44
KDM4E B2RXH2 1/20 0.42
MAPT P10636 1/20 0.42
SLC9A1 P19634 1/20 0.42
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
ASAH1 Q13510 1/20 0.41
ALDH1A1 P00352 2/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41

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
SCHEMBL4865106 0.80 CYP4Z1 (0.52) CYP4Z1CYP1A2CYP2C8CYP2B6CYP4F8
SCHEMBL6388692 0.80 CYP4Z1 (0.58) CYP4Z1CYP1A2CYP2C8CYP2B6CYP4F8
SCHEMBL5851764 0.79 CYP4Z1 (0.57) CYP4Z1CYP1A2CYP2C8CYP2B6CYP4F8
SCHEMBL4866578 0.79 CYP4Z1 (0.53) CYP4Z1CYP1A2CYP2C8CYP2B6CYP4F8
SCHEMBL1757403 0.76 CYP4Z1 (0.50) CYP4Z1CYP1A2CYP2C8CYP2B6CYP4F8
SCHEMBL14527306 0.75 CYP4Z1 (0.50) CYP4Z1CYP1A2CYP2C8CYP2B6CYP4F8
SCHEMBL1757405 0.73 CYP4Z1 (0.50) CYP4Z1CYP1A2CYP2C8CYP2B6CYP4F8
SCHEMBL9346882 0.73 CYP4Z1 (0.50) CYP4Z1CYP1A2CYP2C8CYP2B6CYP4F8
SCHEMBL2748 0.73 CYP4Z1 (0.50) CYP4Z1CYP1A2CYP2C8CYP2B6CYP4F8
SCHEMBL26617288 0.73 CYP4Z1 (0.48) CYP4Z1CYP1A2CYP2C8CYP2B6CYP4F8

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
US-4204998-A N-Amino indole derivatives having pharmacological activity SIEGFRIED AKTIENGESELLSCHAFT (CH) 1980-05-27 US disclosed