SCHEMBL14833467

SCHEMBL14833467

CC(=O)N1CCNCC1(C)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.38
KMT2A Q03164 2/20 0.38
HTR2A P28223 2/20 0.38
MEN1 O00255 1/20 0.37
ADRB2 P07550 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
OPRD1 P41143 1/20 0.37
HTR2C P28335 1/20 0.36
HTR2B P41595 1/20 0.36
OPRM1 P35372 3/20 0.35
OGFRL1 Q5TC84 1/20 0.35
POLB P06746 2/20 0.35
USP2 O75604 2/20 0.35
ALDH1A1 P00352 2/20 0.35
TSHR P16473 1/20 0.35
HSD17B10 Q99714 1/20 0.35
TMEM97 Q5BJF2 1/20 0.34
CHRNB2 P17787 1/20 0.34
SLC6A2 P23975 1/20 0.34
CHRNB4 P30926 1/20 0.34

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
SCHEMBL18284816 0.89 SIGMAR1 (0.39) SIGMAR1KMT2AHTR2AMEN1OPRD1
SCHEMBL4759637 0.87 HTR2A (0.38) SIGMAR1KMT2AHTR2AOPRD1HTR2C
SCHEMBL8109695 0.83 SIGMAR1 (0.39) SIGMAR1KMT2AHTR2AMEN1ADRB2
SCHEMBL2404059 0.77 SIGMAR1 (0.35) SIGMAR1KMT2AHTR2AOPRD1OPRM1
SCHEMBL27373175 0.75 SIGMAR1 (0.37) SIGMAR1KMT2AHTR2AOPRD1HTR2C
Hydrochloric Acid SCHEMBL6830554 0.74 HTR2A (0.42) SIGMAR1KMT2AHTR2AMEN1NPSR1
SCHEMBL5385853 0.73 ALDH1A1 (0.42) KMT2AMEN1ADRB2NPSR1HTR2B
SCHEMBL15094673 0.72 APP (0.39) SIGMAR1HTR2AOPRD1HTR2CHTR2B
SCHEMBL8499176 0.72 SIGMAR1 (0.36) SIGMAR1KMT2AHTR2AOPRD1HTR2C
SCHEMBL15824967 0.72 ALDH1A1 (0.38) KMT2AMEN1ALDH1A1SLC6A2

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-2760862-A1 6-(4-HYDROXY-PHENYL)-3-ALKYL-1H-PYRAZOLO[3,4-B]PYRIDINE-4-CARBOXYLIC ACID AMIDE DERIVATIVES AS KINASE INHIBITORS SANOFI (FR) 2014-08-06 EP disclosed
WO-2013045413-A1 6-(4-HYDROXY-PHENYL)-3-ALKYL-1H-PYRAZOLO[3,4-B]PYRIDINE-4-CARBOXYLIC ACID AMIDE DERIVATIVES AS KINASE INHIBITORS SANOFI (FR) 2013-04-04 WO disclosed