SCHEMBL7869799

SCHEMBL7869799

CCNc1cccnc1N1CCN(C(=O)c2ccc(C(=O)NC(C)(C)CO)cn2)CC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.42
DGAT2 Q96PD7 3/20 0.41
GAA P10253 1/20 0.39
PRKAB2 O43741 2/20 0.39
PRKAG1 P54619 2/20 0.39
PRKAA2 P54646 2/20 0.39
PRKAA1 Q13131 2/20 0.39
PRKAG3 Q9UGI9 2/20 0.39
PRKAG2 Q9UGJ0 2/20 0.39
PRKAB1 Q9Y478 2/20 0.39
CHIA Q9BZP6 1/20 0.38
HSD11B1 P28845 1/20 0.38
CYP2C9 P11712 1/20 0.37
USP2 O75604 1/20 0.37
ABL1 P00519 1/20 0.37
TSHR P16473 1/20 0.37
RIN1 Q13671 1/20 0.37
GPR6 P46095 1/20 0.36
ALDH1A1 P00352 2/20 0.36
PRMT5 O14744 3/20 0.36

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
SCHEMBL7873097 0.92 GAA (0.45) PARP1GAAPRKAB2PRKAG1PRKAA2
SCHEMBL7868092 0.91 DGAT2 (0.38) DGAT2GAAPRKAB2PRKAG1PRKAA2
SCHEMBL7869028 0.89 ADRA2A (0.44) DGAT2GAAPRKAB2PRKAG1PRKAA2
SCHEMBL7867847 0.86 GAA (0.41) DGAT2GAAPRKAB2PRKAG1PRKAA2
SCHEMBL7868154 0.86 PARP1 (0.46) PARP1PRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL7873099 0.85 PARP1 (0.45) PARP1PRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL7869768 0.84 PARP1 (0.46) PARP1PRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL7868110 0.84 PARP1 (0.47) PARP1PRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL7869108 0.83 PRMT5 (0.46) PARP1PRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL7873041 0.82 PARP1 (0.42) PARP1PRKAB2PRKAG1PRKAA2PRKAA1

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