SCHEMBL7861544

SCHEMBL7861544

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 2/20 0.41
PARP1 P09874 1/20 0.41
ALDH1A1 P00352 3/20 0.41
RXFP1 Q9HBX9 1/20 0.40
PRKAB2 O43741 1/20 0.40
PRKAG1 P54619 1/20 0.40
PRKAA2 P54646 1/20 0.40
PRKAA1 Q13131 1/20 0.40
PRKAG3 Q9UGI9 1/20 0.40
PRKAG2 Q9UGJ0 1/20 0.40
PRKAB1 Q9Y478 1/20 0.40
KDM4E B2RXH2 2/20 0.39
GAA P10253 1/20 0.39
HPGD P15428 1/20 0.39
CHIA Q9BZP6 1/20 0.39
PRMT5 O14744 3/20 0.39
HTR1A P08908 1/20 0.38
DRD2 P14416 1/20 0.38
DRD4 P21917 1/20 0.38
ADRA1D P25100 1/20 0.38

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
SCHEMBL7873041 0.95 PARP1 (0.42) NAMPTPARP1PRKAB2PRKAG1PRKAA2
SCHEMBL7869029 0.91 SCD (0.41) NAMPTALDH1A1RXFP1PRKAB2PRKAG1
SCHEMBL7869019 0.90 ADRA2A (0.44) NAMPTALDH1A1RXFP1PRKAB2PRKAG1
SCHEMBL7873099 0.89 PARP1 (0.45) PARP1ALDH1A1PRKAB2PRKAG1PRKAA2
SCHEMBL7873048 0.88 PARP1 (0.40) NAMPTPARP1PRKAB2PRKAG1PRKAA2
SCHEMBL8491991 0.87 PARP1 (0.42) NAMPTPARP1ALDH1A1PRKAB2PRKAG1
SCHEMBL7868110 0.86 PARP1 (0.47) PARP1ALDH1A1PRKAB2PRKAG1PRKAA2
Hydrochloric Acid SCHEMBL7869121 0.86 PARP1 (0.41) NAMPTPARP1ALDH1A1PRKAB2PRKAG1
SCHEMBL7872872 0.85 SCD (0.42) NAMPTPRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL7861532 0.85 NAMPT (0.44) NAMPTPARP1ALDH1A1PRKAB2PRKAG1

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