SCHEMBL7873035

SCHEMBL7873035

CC(C)Nc1cccnc1N1CCN(C(=O)c2ccc(C(=O)NCc3cccnc3)cn2)CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
VNN1 O95497 2/20 0.46
POLB P06746 1/20 0.46
HPGD P15428 1/20 0.46
PRKAA2 P54646 1/20 0.46
LMNA P02545 5/20 0.46
HTT P42858 4/20 0.46
NPSR1 Q6W5P4 1/20 0.46
ALDH1A1 P00352 4/20 0.45
NAMPT P43490 2/20 0.45
MAPK1 P28482 1/20 0.45
MAPT P10636 1/20 0.45
GAA P10253 1/20 0.44
ADRA2A P08913 1/20 0.44
ADORA3 P0DMS8 1/20 0.44
CHRM1 P11229 1/20 0.44
MAOA P21397 1/20 0.44
TBXA2R P21731 1/20 0.44
OPRM1 P35372 1/20 0.44
MDH1 P40925 1/20 0.44
KCNH2 Q12809 1/20 0.44

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
SCHEMBL7861441 0.92 PRKAA2 (0.46) POLBPRKAA2LMNAHTTALDH1A1
SCHEMBL8494726 0.87 ADRA2A (0.44) POLBHPGDPRKAA2LMNAHTT
SCHEMBL7873013 0.87 PRMT5 (0.47) PRKAA2ALDH1A1NAMPTADRA2AADORA3
Hydrochloric Acid SCHEMBL7869767 0.86 ADRA2A (0.44) POLBHPGDPRKAA2LMNAALDH1A1
SCHEMBL7869770 0.86 ADRA2A (0.46) PRKAA2HTTADRA2AADORA3CHRM1
SCHEMBL7861522 0.85 ADRA2A (0.49) HPGDPRKAA2LMNAALDH1A1MAPT
SCHEMBL8496577 0.85 CACNA1B (0.47) POLBHPGDLMNAALDH1A1MAPT
SCHEMBL7866488 0.84 ADRA2A (0.49) PRKAA2ALDH1A1ADRA2AADORA3CHRM1
SCHEMBL7868103 0.84 ADRA2A (0.45) PRKAA2HTTADRA2AADORA3CHRM1
SCHEMBL7866501 0.84 KCNH2 (0.45) HPGDPRKAA2LMNAALDH1A1NAMPT

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