SCHEMBL7861442

SCHEMBL7861442

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

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PRKAA2 P54646 8/20 0.53
PRKAB2 O43741 3/20 0.53
PRKAG1 P54619 3/20 0.53
PRKAA1 Q13131 3/20 0.53
PRKAG3 Q9UGI9 3/20 0.53
PRKAG2 Q9UGJ0 3/20 0.53
PRKAB1 Q9Y478 3/20 0.53
SMN1; SMN2 Q16637 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
DRD3 P35462 1/20 0.46
ALDH1A1 P00352 1/20 0.45
POLB P06746 1/20 0.45
KMT2A Q03164 1/20 0.45

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
SCHEMBL8495206 0.92 PRKAA2 (0.50) PRKAA2PRKAB2PRKAG1PRKAA1PRKAG3
Hydrochloric Acid SCHEMBL7869033 0.91 PRKAA2 (0.49) PRKAA2PRKAB2PRKAG1PRKAA1PRKAG3
SCHEMBL8497231 0.90 DRD3 (0.52) PRKAA2PRKAB2PRKAG1PRKAA1PRKAG3
SCHEMBL8494682 0.89 SMN1; SMN2 (0.55) SMN1; SMN2ALDH1A1POLB
Hydrochloric Acid SCHEMBL7872993 0.89 DRD3 (0.51) PRKAA2PRKAB2PRKAG1PRKAA1PRKAG3
Hydrochloric Acid SCHEMBL7861564 0.88 PRKAA2 (0.49) PRKAA2PRKAB2PRKAG1PRKAA1PRKAG3
SCHEMBL7869773 0.88 DRD3 (0.50) PRKAA2PRKAB2PRKAG1PRKAA1PRKAG3
Hydrochloric Acid SCHEMBL7869101 0.88 SMN1; SMN2 (0.54) SMN1; SMN2ALDH1A1
SCHEMBL8494379 0.86 ALDH1A1 (0.50) PRKAA2PRKAB2PRKAG1PRKAA1PRKAG3
SCHEMBL7866454 0.86 PRKAA2 (0.52) PRKAA2PRKAB2PRKAG1PRKAA1PRKAG3

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