SCHEMBL3393922

SCHEMBL3393922

NC1(c2ccccc2)CCCCN1C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
HSD11B1 P28845 3/20 0.46
AKR1C1 Q04828 1/20 0.44
GRIN2D O15399 1/20 0.42
GRIN3B O60391 1/20 0.42
CYP2B6 P20813 1/20 0.42
SLC6A2 P23975 1/20 0.42
SLC6A4 P31645 1/20 0.42
PRCP P42785 1/20 0.42
SLC6A3 Q01959 1/20 0.42
GRIN1 Q05586 1/20 0.42
KCNH2 Q12809 1/20 0.42
GRIN2A Q12879 1/20 0.42
GRIN2B Q13224 1/20 0.42
GRIN2C Q14957 1/20 0.42
GRIN3A Q8TCU5 1/20 0.42
SIGMAR1 Q99720 1/20 0.42
MAPK1 P28482 1/20 0.42
GAA P10253 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
SCHEMBL3391147 0.95 HSD11B1 (0.44) MEN1KMT2AHSD11B1AKR1C1OPRM1
SCHEMBL28536867 0.90 MEN1 (0.47) MEN1KMT2AHSD11B1AKR1C1GRIN2D
SCHEMBL3433975 0.89 MEN1 (0.46) MEN1KMT2AHSD11B1AKR1C1GRIN2D
SCHEMBL22325834 0.88 HSD11B1 (0.42) MEN1KMT2AHSD11B1AKR1C1GRIN2D
SCHEMBL21683027 0.86 HSD11B1 (0.41) MEN1KMT2AHSD11B1SMN1; SMN2ALDH1A1
SCHEMBL21683014 0.81 HSD11B1 (0.39) MEN1KMT2AHSD11B1SMN1; SMN2ALDH1A1
SCHEMBL29884115 0.79 GRIN1 (0.48) MEN1KMT2AHSD11B1GRIN1GRIN2A
SCHEMBL3787663 0.79 SMN1; SMN2 (0.45) MEN1KMT2AMAPK1GAAOPRD1
SCHEMBL15411209 0.77 SMN1; SMN2 (0.37) MEN1KMT2AAKR1C1MAPK1GAA
SCHEMBL30338318 0.77 MEN1 (0.47) MEN1KMT2AHSD11B1AKR1C1GRIN2D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2852585-A1 NAMPT INHIBITORS AbbVie Inc. (US) 2015-04-01 EP claimed
WO-2013170113-A1 NAMPT INHIBITORS ABBVIE INC. (US) 2013-11-14 WO claimed
EP-2238137-A1 COMPOUNDS AND COMPOSITIONS AS KINASE INHIBITORS IRM LLC (BM) 2010-10-13 EP claimed
WO-2009097287-A1 COMPOUNDS AND COMPOSITIONS AS KINASE INHIBITORS IRM LLC (BM) 2009-08-06 WO claimed
CN-110072883-A The relevant peptide of therapeutic MOTS-C 科巴公司 2019-07-30 CN disclosed
EP-2852585-A1 NAMPT INHIBITORS AbbVie Inc. (US) 2015-04-01 EP disclosed
WO-2013170113-A1 NAMPT INHIBITORS ABBVIE INC. (US) 2013-11-14 WO disclosed
EP-2109608-A1 AMIDE SUBSTITUTED INDAZOLES AS POLY(ADP-RIBOSE)POLYMERASE (PARP) INHIBITORS Istituto di Richerche di Biologia Molecolare P. Angeletti S.p.A. (IT) 2009-10-21 EP disclosed
WO-2008084261-A1 AMIDE SUBSTITUTED INDAZOLES AS POLY(ADP-RIBOSE)POLYMERASE (PARP) INHIBITORS ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA (IT) 2008-07-17 WO disclosed