SCHEMBL7861462

SCHEMBL7861462

COC(CNC(=O)c1ccc(C(=O)N2CCN(CCO)CC2)nc1)OC

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DRD3 P35462 1/20 0.47
PRMT5 O14744 3/20 0.46
KMT2A Q03164 2/20 0.46
MEN1 O00255 1/20 0.46
PRKAA2 P54646 9/20 0.45
PRKAB2 O43741 3/20 0.45
PRKAG1 P54619 3/20 0.45
PRKAA1 Q13131 3/20 0.45
PRKAG3 Q9UGI9 3/20 0.45
PRKAG2 Q9UGJ0 3/20 0.45
PRKAB1 Q9Y478 3/20 0.45
ALDH1A1 P00352 2/20 0.45
POLB P06746 1/20 0.45
HPGD P15428 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.40
PLA2G1B P04054 1/20 0.40
ATG4B Q9Y4P1 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
SCHEMBL8494379 0.89 ALDH1A1 (0.50) DRD3PRMT5PRKAA2PRKAB2PRKAG1
Hydrochloric Acid SCHEMBL7861545 0.88 ALDH1A1 (0.52) DRD3PRMT5PRKAA2PRKAB2PRKAG1
SCHEMBL8497231 0.85 DRD3 (0.52) DRD3KMT2APRKAA2PRKAB2PRKAG1
Hydrochloric Acid SCHEMBL7872993 0.84 DRD3 (0.51) DRD3KMT2APRKAA2PRKAB2PRKAG1
Hydrochloric Acid SCHEMBL7861564 0.84 PRKAA2 (0.49) DRD3PRMT5PRKAA2PRKAB2PRKAG1
SCHEMBL8495485 0.84 ALDH1A1 (0.52) DRD3PRMT5PRKAA2PRKAB2PRKAG1
SCHEMBL7861442 0.84 PRKAA2 (0.53) DRD3KMT2APRKAA2PRKAB2PRKAG1
SCHEMBL7869773 0.84 DRD3 (0.50) DRD3KMT2APRKAA2PRKAB2PRKAG1
Hydrochloric Acid SCHEMBL7869105 0.83 ALDH1A1 (0.54) DRD3PRMT5PRKAA2PRKAB2PRKAG1
SCHEMBL8495206 0.83 PRKAA2 (0.50) DRD3KMT2APRKAA2PRKAB2PRKAG1

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