SCHEMBL7861446

SCHEMBL7861446

COC(=O)c1ccc(C(=O)N2CCN(CCO)CC2)nc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD3 P35462 4/20 0.55
MAPK1 P28482 2/20 0.54
PRKAA2 P54646 5/20 0.52
PRKAB2 O43741 2/20 0.52
PRKAG1 P54619 2/20 0.52
PRKAA1 Q13131 2/20 0.52
PRKAG3 Q9UGI9 2/20 0.52
PRKAG2 Q9UGJ0 2/20 0.52
PRKAB1 Q9Y478 2/20 0.52
PLA2G1B P04054 1/20 0.52
ATG4B Q9Y4P1 1/20 0.52
KDM4E B2RXH2 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
ALDH1A1 P00352 1/20 0.49
POLB P06746 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.47
DRD2 P14416 3/20 0.45
LMNA P02545 1/20 0.44
MAPT P10636 1/20 0.44
NAMPT P43490 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
SCHEMBL9345715 0.85 PRKAA2 (0.66) DRD3MAPK1PRKAA2PRKAB2PRKAG1
SCHEMBL8495485 0.85 ALDH1A1 (0.52) DRD3PRKAA2PRKAB2PRKAG1PRKAA1
SCHEMBL8497231 0.84 DRD3 (0.52) DRD3PRKAA2PRKAB2PRKAG1PRKAA1
Hydrochloric Acid SCHEMBL7869105 0.84 ALDH1A1 (0.54) DRD3PRKAA2PRKAB2PRKAG1PRKAA1
Hydrochloric Acid SCHEMBL7872993 0.83 DRD3 (0.51) DRD3PRKAA2PRKAB2PRKAG1PRKAA1
SCHEMBL840492 0.83 MAPK1 (0.64) MAPK1PRKAA2PRKAB2PRKAG1PRKAA1
SCHEMBL7861462 0.82 DRD3 (0.47) DRD3PRKAA2PRKAB2PRKAG1PRKAA1
SCHEMBL7869773 0.82 DRD3 (0.50) DRD3MAPK1PRKAA2PRKAB2PRKAG1
Hydrochloric Acid SCHEMBL7861564 0.82 PRKAA2 (0.49) DRD3PRKAA2PRKAB2PRKAG1PRKAA1
SCHEMBL7861442 0.82 PRKAA2 (0.53) DRD3PRKAA2PRKAB2PRKAG1PRKAA1

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-6306860-B1 ANTIVIRAL ACTIVITIES AGAINST HEPATATIS B AS WELL AS HUMAN IMMUNODEFICIENCY VIRUS DONG WHA PHARM. INC. CO., LTD. (KR) 2001-10-23 US disclosed
WO-1999058526-A1 NOVEL 2,5-PYRIDINEDICARBOXYLIC ACID DERIVATIVES DONG WHA PHARM. IND. CO., LTD. (KR) 1999-11-18 WO disclosed