SCHEMBL8908801

SCHEMBL8908801

CN1CCN(c2ccccc2NC(=O)OC(C)(C)C)CC1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 6/20 0.57
POLB P06746 1/20 0.57
MEN1 O00255 4/20 0.55
KMT2A Q03164 4/20 0.55
HSD17B10 Q99714 3/20 0.54
NPBWR1 P48145 1/20 0.54
MCHR1 Q99705 1/20 0.54
MAPK10 P53779 1/20 0.54
GAA P10253 4/20 0.54
NPSR1 Q6W5P4 4/20 0.52
SMN1; SMN2 Q16637 3/20 0.52
USP2 O75604 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
ALDH1A1 P00352 2/20 0.51
MAPT P10636 1/20 0.51
CASP3 P42574 1/20 0.51
CASP7 P55210 1/20 0.51
TSHR P16473 2/20 0.50
HTT P42858 1/20 0.50
KDM4E B2RXH2 1/20 0.50

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
SCHEMBL27944138 0.85 ALDH1A1 (0.60) POLBMEN1KMT2AMAPK10NPSR1
SCHEMBL6991512 0.85 CHEK1 (0.49) MAPK1MEN1KMT2AGAANPSR1
SCHEMBL8716632 0.84 KMT2A (0.46) MAPK1POLBMEN1KMT2AGAA
SCHEMBL8716846 0.84 WDR5 (0.48) MAPK1MEN1KMT2AGAANPSR1
SCHEMBL8716619 0.82 WDR5 (0.51) MEN1KMT2AGAASMN1; SMN2L3MBTL1
SCHEMBL2830700 0.81 F10 (0.64) MAPK1POLBSMN1; SMN2NPC1
SCHEMBL13159555 0.81 MAPK1 (0.64) MAPK1POLBMEN1KMT2AHSD17B10
SCHEMBL8711040 0.81 WDR5 (0.54) POLBMEN1KMT2AGAAALDH1A1
SCHEMBL8711310 0.81 MAPK8 (0.56) MAPK1POLBMEN1KMT2AHSD17B10
SCHEMBL5172621 0.79 KDM4E (0.45) HSD17B10GAAALDH1A1KDM4EMITF

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1997014689-A1 ARYL-PIPERAZINE CYCLIC AMINE DERIVATIVES, PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME PIERRE FABRE MEDICAMENT (FR) 1997-04-24 WO disclosed