SCHEMBL7873041

SCHEMBL7873041

CCNc1cccnc1N1CCN(C(=O)c2ccc(C(=O)NCCOC)cn2)CC1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.42
PRKAA2 P54646 5/20 0.41
PRKAB2 O43741 3/20 0.41
PRKAG1 P54619 3/20 0.41
PRKAA1 Q13131 3/20 0.41
PRKAG3 Q9UGI9 3/20 0.41
PRKAG2 Q9UGJ0 3/20 0.41
PRKAB1 Q9Y478 3/20 0.41
CHIA Q9BZP6 1/20 0.40
PRMT5 O14744 3/20 0.40
NAMPT P43490 1/20 0.39
SCD O00767 2/20 0.38
KDM4E B2RXH2 1/20 0.37
HTT P42858 1/20 0.37
MKNK1 Q9BUB5 1/20 0.37

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
SCHEMBL7861544 0.95 NAMPT (0.41) PARP1PRKAA2PRKAB2PRKAG1PRKAA1
SCHEMBL7873048 0.91 PARP1 (0.40) PARP1PRKAA2PRKAB2PRKAG1PRKAA1
SCHEMBL7873099 0.91 PARP1 (0.45) PARP1PRKAA2PRKAB2PRKAG1PRKAA1
SCHEMBL7872872 0.91 SCD (0.42) PRKAA2PRKAB2PRKAG1PRKAA1PRKAG3
SCHEMBL7866501 0.89 KCNH2 (0.45) PRKAA2PRKAB2PRKAG1PRKAA1PRKAG3
SCHEMBL7861532 0.89 NAMPT (0.44) PARP1PRKAA2PRKAB2PRKAG1PRKAA1
SCHEMBL8491991 0.89 PARP1 (0.42) PARP1PRKAA2PRKAB2PRKAG1PRKAA1
SCHEMBL7868110 0.88 PARP1 (0.47) PARP1PRKAA2PRKAB2PRKAG1PRKAA1
Hydrochloric Acid SCHEMBL7869121 0.88 PARP1 (0.41) PARP1PRKAA2PRKAB2PRKAG1PRKAA1
SCHEMBL7869108 0.86 PRMT5 (0.46) PARP1PRKAA2PRKAB2PRKAG1PRKAA1

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