SCHEMBL3674036

SCHEMBL3674036

CC(C)(C)OC(=O)N1CCN(c2nccnc2-c2ccccc2F)CC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CKS1B P61024 2/20 0.52
SKP1 P63208 2/20 0.52
SKP2 Q13309 2/20 0.52
KIT P10721 2/20 0.49
PDK2 Q15119 1/20 0.48
GRIA1 P42261 1/20 0.48
GBA1 P04062 2/20 0.48
PDE10A Q9Y233 1/20 0.47
SMARCA2 P51531 1/20 0.47
SMARCA4 P51532 1/20 0.47
PBRM1 Q86U86 1/20 0.47
GPR119 Q8TDV5 4/20 0.46
ACHE P22303 1/20 0.45
CNR1 P21554 1/20 0.45
CNR2 P34972 1/20 0.45
GRM5 P41594 1/20 0.45
GRM1 Q13255 1/20 0.45
POLB P06746 1/20 0.45
TP53 P04637 1/20 0.44
THRB P10828 1/20 0.44

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
Hydrochloric Acid SCHEMBL3675187 0.93 KIT (0.46) CKS1BSKP1SKP2KITPDK2
SCHEMBL3669512 0.87 CKS1B (0.66) CKS1BSKP1SKP2KITGRIA1
SCHEMBL3673302 0.87 TRPV1 (0.52) CKS1BSKP1SKP2KITPDK2
SCHEMBL3640697 0.87 POLB (0.50) CKS1BSKP1SKP2PDK2SMARCA2
SCHEMBL3669452 0.84 GAA (0.50) CKS1BSKP1SKP2KITPDK2
SCHEMBL11356927 0.83 HRH3 (0.56) CKS1BSKP1SKP2KITGRIA1
SCHEMBL2332808 0.83 GRIA1 (0.65) CKS1BSKP1SKP2KITGRIA1
SCHEMBL3320758 0.82 ALDH1A1 (0.45) GRIA1TP53
SCHEMBL21542828 0.82 KRAS (0.49) CKS1BSKP1SKP2KITGRIA1
SCHEMBL30154796 0.82 KRAS (0.49) CKS1BSKP1SKP2KITGRIA1

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