SCHEMBL3671208

SCHEMBL3671208

CCOc1ccc(-c2nccnc2N2CCN(C(=O)OC(C)(C)C)CC2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 5/20 0.53
CKS1B P61024 2/20 0.52
SKP1 P63208 2/20 0.52
SKP2 Q13309 2/20 0.52
GRIA1 P42261 1/20 0.50
MMP13 P45452 1/20 0.48
GAA P10253 2/20 0.47
RET P07949 1/20 0.47
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
POLB P06746 1/20 0.47
ADRB2 P07550 1/20 0.47
HPGD P15428 2/20 0.47
KDM4E B2RXH2 1/20 0.47
USP2 O75604 1/20 0.47
ALDH1A1 P00352 1/20 0.47
MAPT P10636 1/20 0.47
TSHR P16473 1/20 0.47
MAPK1 P28482 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47

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
SCHEMBL3668374 0.86 GPR119 (0.52) GPR119CKS1BSKP1SKP2GRIA1
SCHEMBL3667750 0.86 GRIA1 (0.49) GPR119CKS1BSKP1SKP2GRIA1
SCHEMBL3320806 0.85 GRIA1 (0.51) GPR119CKS1BSKP1SKP2GRIA1
SCHEMBL2332808 0.85 GRIA1 (0.65) GPR119CKS1BSKP1SKP2GRIA1
SCHEMBL3667084 0.85 MEN1 (0.53) GPR119CKS1BSKP1SKP2GRIA1
SCHEMBL3319476 0.85 KMT2A (0.47) GAAMEN1KMT2APOLBADRB2
SCHEMBL3669512 0.85 CKS1B (0.66) GPR119CKS1BSKP1SKP2GRIA1
SCHEMBL3665781 0.84 EGLN2 (0.57) GPR119CKS1BSKP1SKP2GRIA1
SCHEMBL2333433 0.83 GPR119 (0.52) GPR119CKS1BSKP1SKP2GRIA1
SCHEMBL30591902 0.83 GRIA1 (0.53) GPR119CKS1BSKP1SKP2GRIA1

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