SCHEMBL7081890

SCHEMBL7081890

COC(=O)c1ccc(CN2CCC(NC(=O)OC(C)(C)C)CC2)nc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNA3 P22001 1/20 0.46
CKS1B P61024 1/20 0.46
SKP1 P63208 1/20 0.46
SKP2 Q13309 1/20 0.46
KDM4D Q6B0I6 2/20 0.45
PRKAB2 O43741 1/20 0.43
PRKAG1 P54619 1/20 0.43
PRKAA2 P54646 1/20 0.43
PRKAA1 Q13131 1/20 0.43
PRKAG3 Q9UGI9 1/20 0.43
PRKAG2 Q9UGJ0 1/20 0.43
PRKAB1 Q9Y478 1/20 0.43
DRD2 P14416 2/20 0.42
HPGDS O60760 1/20 0.42
DRD4 P21917 1/20 0.42
AAK1 Q2M2I8 1/20 0.42
NAMPT P43490 2/20 0.42
BCHE P06276 1/20 0.42
ACHE P22303 1/20 0.42
AKT1 P31749 1/20 0.41

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
SCHEMBL7078749 0.86 CKS1B (0.48) CKS1BSKP1SKP2DRD2
SCHEMBL12011091 0.84 KDM4E (0.57) KCNA3DRD4AKT1MCHR1MEN1
SCHEMBL23870671 0.82 DRD2 (0.45) CKS1BSKP1SKP2KDM4DDRD2
SCHEMBL16049430 0.82 CKS1B (0.58) CKS1BSKP1SKP2KDM4DHPGDS
SCHEMBL16200824 0.81 NAMPT (0.46) KCNA3CKS1BSKP1SKP2KDM4D
SCHEMBL15693171 0.81 HRH3 (0.41) MEN1KMT2A
SCHEMBL7078816 0.81 DRD4 (0.58) KCNA3CKS1BSKP1SKP2DRD2
SCHEMBL6949028 0.80 KDM4E (0.46) KMT2A
SCHEMBL15058288 0.78 SSTR5 (0.49) KCNA3KDM4DACHEMCHR1
SCHEMBL9733579 0.78 HRH3 (0.57) MEN1KMT2A

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
US-6649627-B1 N-Substituted with 1- (pyrid-2-yl)-piperidine-4-yl radical; gastrointestinal and psychological disorder treatment; antidiabetic tocolytic, and antidepressant agents; irritable bowel syndrome, glaucoma and dysmenorrhoea SANOFI-SYNTHELABO (FR) 2003-11-18 US disclosed
EP-1087961-B1 PHENOXYLPROPANOLAMINES, METHOD FOR THE PRODUCTION THEREOF AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME SANOFI SYNTHELABO (FR) 2002-08-14 EP disclosed