SCHEMBL15948271

SCHEMBL15948271

O=C(O)NCC1CCN(Cc2cc(-c3ccccc3)no2)CC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP30 Q70CQ3 2/20 0.51
IL4I1 Q96RQ9 2/20 0.47
HDAC3 O15379 5/20 0.47
HDAC4 P56524 5/20 0.47
HDAC1 Q13547 5/20 0.47
HDAC7 Q8WUI4 5/20 0.47
HDAC2 Q92769 5/20 0.47
HDAC10 Q969S8 5/20 0.47
HDAC11 Q96DB2 5/20 0.47
HDAC8 Q9BY41 5/20 0.47
HDAC6 Q9UBN7 5/20 0.47
HDAC9 Q9UKV0 5/20 0.47
HDAC5 Q9UQL6 5/20 0.47
HIF1A Q16665 1/20 0.46
MAPT P10636 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
BCHE P06276 2/20 0.46
NPSR1 Q6W5P4 1/20 0.45
FAAH O00519 1/20 0.45
ACHE P22303 1/20 0.45

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
SCHEMBL12112336 0.91 USP30 (0.49) USP30IL4I1HDAC3HDAC4HDAC1
SCHEMBL3606179 0.90 USP30 (0.52) USP30HDAC3HDAC4HDAC1HDAC7
SCHEMBL12116814 0.86 ACACB (0.55) USP30
SCHEMBL1314099 0.86 CACNA1I (0.58) USP30HDAC3HDAC4HDAC1HDAC7
SCHEMBL1314432 0.86 USP30 (0.54) USP30HDAC3HDAC4HDAC1HDAC7
SCHEMBL1313591 0.86 HDAC3 (0.55) USP30HDAC3HDAC4HDAC1HDAC7
SCHEMBL12112674 0.85 IL4I1 (0.50) USP30IL4I1HDAC3HDAC4HDAC1
SCHEMBL1316537 0.84 CACNA1I (0.54) USP30HDAC3HDAC4HDAC1HDAC7
Hydrochloric Acid SCHEMBL1314946 0.84 IL4I1 (0.49) USP30IL4I1HDAC3HDAC4HDAC1
SCHEMBL1315256 0.84 USP30 (0.47) USP30HDAC3HDAC4HDAC1HDAC7

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-2375899-B1 PIPERIDINE-CONTAINING COMPOUNDS AND USE THEREOF IN THE TREATMENT OF DIABETES ARRAY BIOPHARMA INC (US) 2015-02-25 EP disclosed
US-8809538-B2 Piperidine-containing compounds and use thereof ARRAY BIOPHARMA INC. (US) 2014-08-19 US disclosed