SCHEMBL1421910

SCHEMBL1421910

CC(C)(C)C1[C@H](c2ccc(N)cc2)CCCN1C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 3/20 0.41
HSD11B1 P28845 2/20 0.39
PPID Q08752 1/20 0.36
LMNA P02545 1/20 0.36
GFER P55789 1/20 0.34
DPP4 P27487 1/20 0.34
DPP8 Q6V1X1 1/20 0.34
DPP9 Q86TI2 1/20 0.34
DPP7 Q9UHL4 1/20 0.34
GAA P10253 2/20 0.34
UTS2R Q9UKP6 1/20 0.34
SLC18A3 Q16572 1/20 0.33
SLC6A2 P23975 1/20 0.33
HPGD P15428 1/20 0.33
MAOA P21397 1/20 0.33

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
SCHEMBL20448655 0.86 RIPK1 (0.37) RIPK1HSD11B1LMNAMAOA
SCHEMBL25280393 0.81 CHRNB2 (0.42) RIPK1HPGD
SCHEMBL1920132 0.73 DPP4 (0.40) RIPK1LMNADPP4DPP8DPP9
SCHEMBL5002190 0.73 DPP4 (0.40) RIPK1LMNADPP4DPP8DPP9
SCHEMBL2430899 0.73 DPP4 (0.40) RIPK1LMNADPP4DPP8DPP9
SCHEMBL14480015 0.73 DPP4 (0.40) RIPK1LMNADPP4DPP8DPP9
SCHEMBL3514728 0.72 RAB9A (0.37) RIPK1LMNAGFERDPP4GAA
SCHEMBL3514730 0.72 RAB9A (0.37) RIPK1LMNAGFERDPP4GAA
SCHEMBL22443043 0.71 KDM5A (0.36) RIPK1LMNADPP4
SCHEMBL12478830 0.71 PPID (0.48) RIPK1HSD11B1PPIDGFERSLC18A3

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-2336120-A1 Combinations containing amide substituted indazoles as poly(ADP-ribose)polymerase (PARP) inhibitors Istituto di ricerche di Biologia Molecolare P. Angeletti S.R.L. (IT) 2011-06-22 EP disclosed
EP-2109608-B1 AMIDE SUBSTITUTED INDAZOLES AS POLY(ADP-RIBOSE)POLYMERASE (PARP) INHIBITORS ANGELETTI P IST RICHERCHE BIO (IT) 2011-03-23 EP disclosed