SCHEMBL9844016

SCHEMBL9844016

NC(=O)CCN1CCNCC1Cc1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MITF O75030 1/20 0.55
CA1 P00915 2/20 0.53
CA2 P00918 2/20 0.53
CA4 P22748 2/20 0.53
CA9 Q16790 2/20 0.53
SLC6A4 P31645 6/20 0.52
SLC6A3 Q01959 6/20 0.52
SLC6A2 P23975 5/20 0.52
TDP1 Q9NUW8 1/20 0.50
DPP4 P27487 3/20 0.46
L3MBTL1 Q9Y468 1/20 0.45
DPP7 Q9UHL4 2/20 0.44
ALDH1A1 P00352 1/20 0.42
LMNA P02545 1/20 0.42
MAPT P10636 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
TAAR1 Q96RJ0 1/20 0.42

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
SCHEMBL2115137 0.90 MITF (0.57) MITFCA1CA2CA4CA9
SCHEMBL16908331 0.87 CA1 (0.55) MITFCA1CA2CA4CA9
SCHEMBL27629296 0.82 TDP1 (0.51) MITFCA1CA2CA4CA9
SCHEMBL5160892 0.81 SLC6A4 (0.57) MITFCA1CA2CA4CA9
SCHEMBL27784843 0.79 SLC6A2 (0.61) MITFCA1CA2CA4CA9
SCHEMBL4584365 0.79 CA1 (0.63) MITFCA1CA2CA4CA9
SCHEMBL1415727 0.78 SLC6A2 (0.63) MITFCA1CA2CA4CA9
SCHEMBL6936570 0.78 SLC6A2 (0.63) MITFCA1CA2CA4CA9
SCHEMBL30499280 0.78 L3MBTL1 (0.37) CA1CA2CA4CA9TDP1
SCHEMBL27505917 0.78 SLC6A2 (0.63) MITFCA1CA2CA4CA9

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
EP-0433662-A2 Acat inhibitors WARNER-LAMBERT COMPANY (US) 1991-06-26 EP claimed