SCHEMBL7861532

SCHEMBL7861532

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 5/20 0.44
PARP1 P09874 2/20 0.42
MC4R P32245 1/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
KDM4E B2RXH2 1/20 0.38
LMNA P02545 1/20 0.38
ALDH1A1 P00352 1/20 0.37
HPGD P15428 1/20 0.37
HTT P42858 1/20 0.37
RAB9A P51151 1/20 0.37
PRKAB2 O43741 2/20 0.37
PRKAG1 P54619 2/20 0.37
PRKAA2 P54646 2/20 0.37
PRKAA1 Q13131 2/20 0.37
PRKAG3 Q9UGI9 2/20 0.37
PRKAG2 Q9UGJ0 2/20 0.37
PRKAB1 Q9Y478 2/20 0.37
GCK P35557 1/20 0.37
KCNH2 Q12809 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
SCHEMBL7869768 0.91 PARP1 (0.46) PARP1MEN1KMT2AKDM4ELMNA
SCHEMBL7873073 0.91 NAMPT (0.45) NAMPTMC4RMEN1KMT2AKDM4E
SCHEMBL7873041 0.89 PARP1 (0.42) NAMPTPARP1KDM4EHTTPRKAB2
SCHEMBL7868110 0.86 PARP1 (0.47) PARP1KMT2AKDM4EALDH1A1RAB9A
SCHEMBL7861544 0.85 NAMPT (0.41) NAMPTPARP1KDM4EALDH1A1HPGD
SCHEMBL7869108 0.84 PRMT5 (0.46) NAMPTPARP1MEN1KMT2APRKAB2
SCHEMBL7868154 0.84 PARP1 (0.46) PARP1KDM4EALDH1A1PRKAB2PRKAG1
SCHEMBL7866466 0.83 TTK (0.42) PARP1MEN1KMT2AKDM4ELMNA
SCHEMBL7872872 0.83 SCD (0.42) NAMPTMEN1KMT2ALMNAPRKAB2
SCHEMBL7869783 0.82 PARP1 (0.43) PARP1MEN1KMT2AKDM4EALDH1A1

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