SCHEMBL7868103

SCHEMBL7868103

CC(C)Nc1cccnc1N1CCN(C(=O)c2ccc(C(=O)NCCCO)cn2)CC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 1/20 0.45
ADORA3 P0DMS8 1/20 0.45
CHRM1 P11229 1/20 0.45
MAOA P21397 1/20 0.45
TBXA2R P21731 1/20 0.45
OPRM1 P35372 1/20 0.45
MDH1 P40925 1/20 0.45
KCNH2 Q12809 1/20 0.45
ABCG2 Q9UNQ0 1/20 0.45
SCD O00767 2/20 0.42
PRMT5 O14744 3/20 0.42
PRKAA2 P54646 3/20 0.41
PRKAB2 O43741 2/20 0.41
PRKAG1 P54619 2/20 0.41
PRKAA1 Q13131 2/20 0.41
PRKAG3 Q9UGI9 2/20 0.41
PRKAG2 Q9UGJ0 2/20 0.41
PRKAB1 Q9Y478 2/20 0.41
IRAK4 Q9NWZ3 1/20 0.38
KDM4E B2RXH2 2/20 0.38

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
SCHEMBL7869770 0.95 ADRA2A (0.46) ADRA2AADORA3CHRM1MAOATBXA2R
SCHEMBL7869019 0.91 ADRA2A (0.44) ADRA2AADORA3CHRM1MAOATBXA2R
SCHEMBL8711424 0.91 ADRA2A (0.47) ADRA2AADORA3CHRM1MAOATBXA2R
SCHEMBL7861555 0.90 ADRA2A (0.43) ADRA2AADORA3CHRM1MAOATBXA2R
SCHEMBL7866501 0.89 KCNH2 (0.45) ADRA2AADORA3CHRM1MAOATBXA2R
SCHEMBL8491686 0.89 ADRA2A (0.46) ADRA2AADORA3CHRM1MAOATBXA2R
SCHEMBL7873013 0.88 PRMT5 (0.47) ADRA2AADORA3CHRM1MAOATBXA2R
Hydrochloric Acid SCHEMBL7861439 0.88 ADRA2A (0.44) ADRA2AADORA3CHRM1MAOATBXA2R
SCHEMBL8711082 0.87 ADRA2A (0.46) ADRA2AADORA3CHRM1MAOATBXA2R
SCHEMBL7866514 0.87 TSHR (0.46) ADRA2AADORA3CHRM1MAOATBXA2R

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