SCHEMBL3667078

SCHEMBL3667078

Cc1cccc(-c2nccnc2N2CCN(C(=O)OC(C)(C)C)CC2)c1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CKS1B P61024 2/20 0.52
SKP1 P63208 2/20 0.52
SKP2 Q13309 2/20 0.52
KIT P10721 2/20 0.52
GPR119 Q8TDV5 5/20 0.51
GBA1 P04062 1/20 0.48
DPP4 P27487 1/20 0.46
GRIA1 P42261 1/20 0.46
PDE10A Q9Y233 1/20 0.45
POLB P06746 1/20 0.45
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
ALDH1A1 P00352 1/20 0.43
MAPT P10636 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
TRPA1 O75762 2/20 0.43
ACHE P22303 1/20 0.43
LMNA P02545 1/20 0.43

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
SCHEMBL3669512 0.87 CKS1B (0.66) CKS1BSKP1SKP2KITGPR119
SCHEMBL3319306 0.83 MAPT (0.47) DPP4PDE10AMEN1KMT2AALDH1A1
SCHEMBL2332808 0.81 GRIA1 (0.65) CKS1BSKP1SKP2KITGPR119
SCHEMBL3667084 0.81 MEN1 (0.53) CKS1BSKP1SKP2KITGPR119
SCHEMBL3674036 0.80 CKS1B (0.52) CKS1BSKP1SKP2KITGPR119
SCHEMBL2595644 0.79 PDE10A (0.57) GPR119PDE10A
SCHEMBL23601156 0.79 RET (0.56) CKS1BSKP1SKP2GPR119DPP4
SCHEMBL3320806 0.79 GRIA1 (0.51) CKS1BSKP1SKP2KITGPR119
SCHEMBL30591902 0.79 GRIA1 (0.53) CKS1BSKP1SKP2KITGPR119
SCHEMBL26105834 0.79 GRIA1 (0.53) CKS1BSKP1SKP2KITGPR119

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8202873-B2 2-[4-(pyrazol-4-ylalkyl)piperazin-1-yl]-3-phenyl pyrazines as 5-HT7 receptor antagonists ELI LILLY AND COMPANY (US) 2012-06-19 US disclosed
EP-2155717-A1 2-[4-(PYRAZOL-4-YLALKYL)PIPERAZIN-1-YL]-3-PHENYL PYRAZINES AND PYRIDINES AND 3-[4-(PYRAZOL-4-YLALKYL)PIPERAZIN-1-YL]-2-PHENYL PYRIDINES AS 5-HT7 RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 2010-02-24 EP disclosed
WO-2008141020-A1 2-[4-(PYRAZOL-4-YLALKYL)PIPERAZIN-1-YL]-3-PHENYL PYRAZINES AND PYRIDINES AND 3-[4-(PYRAZOL-4-YLALKYL)PIPERAZIN-1-YL]-2-PHENYL PYRIDINES AS 5-HT7 RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 2008-11-20 WO disclosed