SCHEMBL7869768

SCHEMBL7869768

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.46
PRMT5 O14744 3/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
ALDH1A1 P00352 2/20 0.41
LMNA P02545 1/20 0.41
MAPT P10636 1/20 0.41
HPGD P15428 1/20 0.41
PRKAB2 O43741 2/20 0.40
PRKAG1 P54619 2/20 0.40
PRKAA2 P54646 2/20 0.40
PRKAA1 Q13131 2/20 0.40
PRKAG3 Q9UGI9 2/20 0.40
PRKAG2 Q9UGJ0 2/20 0.40
PRKAB1 Q9Y478 2/20 0.40
CHIA Q9BZP6 1/20 0.40
ADRA2A P08913 1/20 0.40
ADORA3 P0DMS8 1/20 0.40
CHRM1 P11229 1/20 0.40
MAOA P21397 1/20 0.40
TBXA2R P21731 1/20 0.40

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
SCHEMBL7866466 0.92 TTK (0.42) PARP1PRMT5SMN1; SMN2ALDH1A1LMNA
SCHEMBL7861532 0.91 NAMPT (0.44) PARP1PRMT5ALDH1A1LMNAHPGD
SCHEMBL7861522 0.89 ADRA2A (0.49) PRMT5SMN1; SMN2ALDH1A1LMNAMAPT
SCHEMBL7869108 0.89 PRMT5 (0.46) PARP1PRMT5PRKAB2PRKAG1PRKAA2
SCHEMBL7868110 0.89 PARP1 (0.47) PARP1SMN1; SMN2ALDH1A1PRKAB2PRKAG1
SCHEMBL7868154 0.88 PARP1 (0.46) PARP1SMN1; SMN2ALDH1A1PRKAB2PRKAG1
SCHEMBL7869783 0.87 PARP1 (0.43) PARP1PRMT5SMN1; SMN2ALDH1A1PRKAB2
SCHEMBL7873097 0.87 GAA (0.45) PARP1PRMT5SMN1; SMN2ALDH1A1PRKAB2
SCHEMBL7861540 0.86 PRKAA2 (0.53) PARP1ALDH1A1HPGDPRKAB2PRKAG1
SCHEMBL7873041 0.86 PARP1 (0.42) PARP1PRMT5PRKAB2PRKAG1PRKAA2

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