SCHEMBL19953450

SCHEMBL19953450

CN1CCN(C2CCN(C(=O)Cn3c[c]cn3)CC2)CC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 2/20 0.44
F10 P00742 3/20 0.42
L3MBTL3 Q96JM7 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
IRAK4 Q9NWZ3 1/20 0.40
KDM4E B2RXH2 5/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
ALDH1A1 P00352 3/20 0.36
BDKRB1 P46663 1/20 0.36
TDP1 Q9NUW8 3/20 0.35
MAPT P10636 1/20 0.35
G6PD P11413 1/20 0.35
HPGD P15428 1/20 0.35
CACNA1B Q00975 1/20 0.35
APBA1 Q02410 1/20 0.35
HSD17B10 Q99714 1/20 0.35
APOBEC3G Q9HC16 1/20 0.35
CBX7 O95931 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
SCHEMBL1559002 0.86 MAPT (0.40) SMN1; SMN2ALDH1A1TDP1MAPTPOLB
SCHEMBL1559367 0.81 TDP1 (0.43) L3MBTL1ALDH1A1TDP1MAPTPOLB
SCHEMBL1558484 0.77 CDYL (0.44) L3MBTL3L3MBTL1IRAK4SMN1; SMN2ALDH1A1
SCHEMBL1559369 0.76 PKM (0.42) KDM4ESMN1; SMN2CYP2C9CYP2C19ALDH1A1
SCHEMBL18909112 0.73 ACHE (0.51) ACHEL3MBTL3L3MBTL1KDM4ECYP2C9
SCHEMBL24802129 0.72 ALDH1A1 (0.49) ACHEF10L3MBTL3L3MBTL1KDM4E
SCHEMBL1557723 0.72 SMN1; SMN2 (0.48) L3MBTL1KDM4ESMN1; SMN2ALDH1A1TDP1
SCHEMBL19203542 0.71 ACHE (0.50) ACHEL3MBTL3L3MBTL1KDM4ECYP2C9
SCHEMBL3542891 0.69 F10 (0.57) ACHEF10L3MBTL3L3MBTL1IRAK4
SCHEMBL3543043 0.69 F10 (0.58) ACHEF10L3MBTL3L3MBTL1IRAK4

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-3510030-A1 8-(AZETIDIN-1-YL)-[1,2,4]TRIAZOLO[1,5-A]PYRIDINYL COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF H. Hoffnabb-La Roche Ag (CH) 2019-07-17 EP disclosed
WO-2018046409-A1 8-(AZETIDIN-1-YL)-[1,2,4]TRIAZOLO[1,5-A]PYRIDINYL COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF F. HOFFMANN-LA ROCHE AG (CH) 2018-03-15 WO disclosed