SCHEMBL7873073

SCHEMBL7873073

COCC(C)NC(=O)c1ccc(C(=O)N2CCN(c3ncccc3NC(C)C)CC2)nc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 5/20 0.45
KCNH2 Q12809 2/20 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
ABCG2 Q9UNQ0 1/20 0.44
MC4R P32245 1/20 0.40
GCK P35557 1/20 0.39
PRMT5 O14744 3/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
KDM4E B2RXH2 1/20 0.38
LMNA P02545 1/20 0.38
ALDH1A1 P00352 1/20 0.38
HPGD P15428 1/20 0.38
HTT P42858 1/20 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
SCHEMBL7866501 0.91 KCNH2 (0.45) NAMPTKCNH2ADRA2AADORA3CHRM1
SCHEMBL8707850 0.91 NAMPT (0.49) NAMPTKCNH2ADRA2AADORA3CHRM1
SCHEMBL7861522 0.91 ADRA2A (0.49) KCNH2ADRA2AADORA3CHRM1MAOA
SCHEMBL7861532 0.91 NAMPT (0.44) NAMPTKCNH2MC4RGCKPRMT5
SCHEMBL7866495 0.90 ADRA2A (0.46) KCNH2ADRA2AADORA3CHRM1MAOA
SCHEMBL7869044 0.90 ADRA2A (0.46) KCNH2ADRA2AADORA3CHRM1MAOA
SCHEMBL7861520 0.90 ADRA2A (0.46) KCNH2ADRA2AADORA3CHRM1MAOA
SCHEMBL7869019 0.88 ADRA2A (0.44) NAMPTKCNH2ADRA2AADORA3CHRM1
SCHEMBL7869046 0.87 ADRA2A (0.46) KCNH2ADRA2AADORA3CHRM1MAOA
SCHEMBL7861556 0.86 PLA2G1B (0.49) KCNH2ADRA2AADORA3CHRM1MAOA

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