SCHEMBL7861540

SCHEMBL7861540

CCNc1cccnc1N1CCN(C(=O)c2ccc(C(=O)NC3CCCC3)cn2)CC1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PRKAA2 P54646 11/20 0.53
PRKAB2 O43741 8/20 0.53
PRKAG1 P54619 8/20 0.53
PRKAA1 Q13131 8/20 0.53
PRKAG3 Q9UGI9 8/20 0.53
PRKAG2 Q9UGJ0 8/20 0.53
PRKAB1 Q9Y478 8/20 0.53
MEN1 O00255 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
KMT2A Q03164 1/20 0.47
EPHX2 P34913 1/20 0.44
GRM5 P41594 1/20 0.43
PARP1 P09874 1/20 0.42
ALDH1A1 P00352 1/20 0.42
HPGD P15428 1/20 0.42
TSHR P16473 1/20 0.42

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
SCHEMBL7866520 0.88 PRKAA2 (0.52) PRKAA2PRKAB2PRKAG1PRKAA1PRKAG3
SCHEMBL7869768 0.86 PARP1 (0.46) PRKAA2PRKAB2PRKAG1PRKAA1PRKAG3
SCHEMBL7868154 0.86 PARP1 (0.46) PRKAA2PRKAB2PRKAG1PRKAA1PRKAG3
SCHEMBL7873099 0.85 PARP1 (0.45) PRKAA2PRKAB2PRKAG1PRKAA1PRKAG3
SCHEMBL7868147 0.85 PRKAA2 (0.52) PRKAA2PRKAB2PRKAG1PRKAA1PRKAG3
SCHEMBL7873097 0.84 GAA (0.45) PRKAA2PRKAB2PRKAG1PRKAA1PRKAG3
SCHEMBL7868110 0.84 PARP1 (0.47) PRKAA2PRKAB2PRKAG1PRKAA1PRKAG3
SCHEMBL7873041 0.84 PARP1 (0.42) PRKAA2PRKAB2PRKAG1PRKAA1PRKAG3
SCHEMBL8491991 0.83 PARP1 (0.42) PRKAA2PRKAB2PRKAG1PRKAA1PRKAG3
SCHEMBL7869108 0.83 PRMT5 (0.46) PRKAA2PRKAB2PRKAG1PRKAA1PRKAG3

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 1 patent. 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