SCHEMBL9016294

SCHEMBL9016294

CCc1cc(N(C(=O)O)c2ccccc2)c(N2CCN(C(=O)OC(C)(C)C)CC2)nc1C

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KIT P10721 2/20 0.46
CKS1B P61024 2/20 0.46
SKP1 P63208 2/20 0.46
SKP2 Q13309 2/20 0.46
TLR9 Q9NR96 4/20 0.44
TLR7 Q9NYK1 2/20 0.44
ACHE P22303 2/20 0.44
GBA1 P04062 2/20 0.43
CNR1 P21554 1/20 0.41
CNR2 P34972 1/20 0.41
SLC2A1 P11166 1/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
SMARCA2 P51531 1/20 0.39
SMARCA4 P51532 1/20 0.39
PBRM1 Q86U86 1/20 0.39
PTPN11 Q06124 1/20 0.39
GPR119 Q8TDV5 1/20 0.39

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
SCHEMBL27432362 0.79 MAPT (0.42) KITTLR9TLR7SLC2A1KMT2A
SCHEMBL8700308 0.76 PTPN11 (0.48) KITCKS1BSKP1SKP2TLR9
SCHEMBL6964672 0.76 KIT (0.44) KITCKS1BSKP1SKP2TLR9
SCHEMBL8699714 0.71 MAPT (0.50) TLR9TLR7
SCHEMBL7981893 0.71 GAA (0.56) CKS1BSKP1SKP2ACHESMARCA2
SCHEMBL24951551 0.70 GBA1 (0.56) KITCKS1BSKP1SKP2ACHE
SCHEMBL7626374 0.70 MEN1 (0.40) MEN1KMT2A
SCHEMBL30819461 0.70 GBA1 (0.56) KITCKS1BSKP1SKP2ACHE
SCHEMBL2366187 0.70 GBA1 (0.47) KITCKS1BSKP1SKP2TLR9
SCHEMBL24970896 0.70 GBA1 (0.53) KITCKS1BSKP1SKP2TLR9

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-0749425-A1 NEW PIPERAZINE DERIVATIVES AND METHODS FOR THE PREPARATION THEREOF AND COMPOSITIONS CONTAINING THE SAME SAMJIN PHARM. CO., LTD. (KR) 1996-12-27 EP disclosed
WO-1996021648-A1 NEW PIPERAZINE DERIVATIVES AND METHODS FOR THE PREPARATION THEREOF AND COMPOSITIONS CONTAINING THE SAME SAMJIN PHARMACEUTICAL CO., LTD. (KR) 1996-07-18 WO disclosed