SCHEMBL8056769

SCHEMBL8056769

CCC1N(C(=O)OCc2ccccc2)CCC12CCN(C(=O)OC(C)(C)C)CC2

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 1/20 0.46
SMN1; SMN2 Q16637 3/20 0.45
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
HTT P42858 1/20 0.44
TACR1 P25103 1/20 0.44
OPRD1 P41143 1/20 0.44
OPRK1 P41145 1/20 0.44
GPR119 Q8TDV5 2/20 0.44
PDK1 Q15118 1/20 0.44
PDK2 Q15119 1/20 0.44
PDK3 Q15120 1/20 0.44
PDK4 Q16654 1/20 0.44
STS P08842 1/20 0.44
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
CYP2C19 P33261 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
YAP1 P46937 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
SCHEMBL8056816 0.87 PDK1 (0.48) NAMPTSMN1; SMN2NPC1RAB9AHTT
SCHEMBL29478907 0.82 PDK1 (0.47) SMN1; SMN2NPC1RAB9AHTTPDK1
SCHEMBL27096547 0.82 PDK1 (0.47) SMN1; SMN2NPC1RAB9AHTTPDK1
SCHEMBL29479086 0.82 PDK1 (0.47) SMN1; SMN2NPC1RAB9AHTTPDK1
SCHEMBL30121349 0.81 MEN1 (0.54) SMN1; SMN2NPC1RAB9AHTTTACR1
SCHEMBL24145841 0.80 NAMPT (0.48) NAMPTSMN1; SMN2NPC1RAB9AHTT
SCHEMBL22234348 0.80 NAMPT (0.48) NAMPTSMN1; SMN2NPC1RAB9AHTT
SCHEMBL22234269 0.80 NAMPT (0.48) NAMPTSMN1; SMN2NPC1RAB9AHTT
SCHEMBL1842426 0.79 MEN1 (0.61) SMN1; SMN2NPC1RAB9AHTTGPR119
SCHEMBL2796441 0.79 MEN1 (0.48) NAMPTSMN1; SMN2NPC1RAB9AHTT

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-1061076-A1 N-ACYL CYCLIC AMINE DERIVATIVES BANYU PHARMACEUTICAL CO., LTD. (JP) 2000-12-20 EP disclosed
US-6140333-A FOR TREATMENT AND/OR PROPHYLAXIS OF DISEASES INCLUDE SUCH RESPIRATORY DISEASES AS CHRONIC OBSTRUCTIVE PULMONARY DISEASES, CHRONIC BRONCHITIS, ASTHMA, CHRONIC RESPIRATORY OBSTRUCTION, PULMONARY FIBROSIS, PULMONARY EMPHYSEMA BANYU PHARMACEUTICAL CO LTD (JP) 2000-10-31 US disclosed