SCHEMBL7869773

SCHEMBL7869773

COCCCNC(=O)c1ccc(C(=O)N2CCN(CCO)CC2)nc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD3 P35462 3/20 0.50
ALDH1A1 P00352 2/20 0.48
PRKAA2 P54646 4/20 0.47
PRKAB2 O43741 2/20 0.47
PRKAG1 P54619 2/20 0.47
PRKAA1 Q13131 2/20 0.47
PRKAG3 Q9UGI9 2/20 0.47
PRKAG2 Q9UGJ0 2/20 0.47
PRKAB1 Q9Y478 2/20 0.47
KMT2A Q03164 1/20 0.47
HDAC6 Q9UBN7 2/20 0.46
DRD2 P14416 3/20 0.45
DRD4 P21917 2/20 0.45
HTR1A P08908 1/20 0.45
ADRA1D P25100 1/20 0.45
ADRA1A P35348 1/20 0.45
ADRA1B P35368 1/20 0.45
LMNA P02545 1/20 0.43
GAA P10253 1/20 0.43
MAPT P10636 1/20 0.43

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
SCHEMBL8497231 0.94 DRD3 (0.52) DRD3ALDH1A1PRKAA2PRKAB2PRKAG1
Hydrochloric Acid SCHEMBL7872993 0.93 DRD3 (0.51) DRD3ALDH1A1PRKAA2PRKAB2PRKAG1
SCHEMBL7861442 0.88 PRKAA2 (0.53) DRD3ALDH1A1PRKAA2PRKAB2PRKAG1
SCHEMBL8495206 0.87 PRKAA2 (0.50) DRD3ALDH1A1PRKAA2PRKAB2PRKAG1
Hydrochloric Acid SCHEMBL7869033 0.86 PRKAA2 (0.49) DRD3ALDH1A1PRKAA2PRKAB2PRKAG1
Hydrochloric Acid SCHEMBL7861564 0.84 PRKAA2 (0.49) DRD3ALDH1A1PRKAA2PRKAB2PRKAG1
SCHEMBL7861462 0.84 DRD3 (0.47) DRD3ALDH1A1PRKAA2PRKAB2PRKAG1
SCHEMBL7861446 0.82 DRD3 (0.55) DRD3ALDH1A1PRKAA2PRKAB2PRKAG1
SCHEMBL8494682 0.82 SMN1; SMN2 (0.55) ALDH1A1HTR1ASMN1; SMN2
SCHEMBL8494379 0.82 ALDH1A1 (0.50) DRD3ALDH1A1PRKAA2PRKAB2PRKAG1

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