SCHEMBL5982869

SCHEMBL5982869

COC(=O)c1ccc(CCNNC(=O)C(C)CCC(=O)Cc2cccc(C(F)(F)F)c2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP2 O75604 2/20 0.42
CYP3A4 P08684 2/20 0.42
KCNH2 Q12809 2/20 0.42
NR1I2 O75469 1/20 0.42
ADRB1 P08588 1/20 0.42
HTR1A P08908 1/20 0.42
ADRA2A P08913 1/20 0.42
ADORA3 P0DMS8 1/20 0.42
ADRA2B P18089 1/20 0.42
ADRA2C P18825 1/20 0.42
CHRM3 P20309 1/20 0.42
SLC6A2 P23975 1/20 0.42
HTR2A P28223 1/20 0.42
HTR2C P28335 1/20 0.42
SLC6A4 P31645 1/20 0.42
ADRA1A P35348 1/20 0.42
HRH1 P35367 1/20 0.42
OPRM1 P35372 1/20 0.42
DRD3 P35462 1/20 0.42
HTR2B P41595 1/20 0.42

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
SCHEMBL5982965 0.87 CYP3A4 (0.48) USP2CYP3A4KCNH2NR1I2ADRB1
SCHEMBL4937196 0.78 PTGER4 (0.54) USP2CYP3A4KCNH2NR1I2ADRB1
SCHEMBL20897899 0.74 KDM4E (0.66) USP2CYP3A4KCNH2NR1I2ADRB1
SCHEMBL4946083 0.74 HDAC1 (0.39) USP2CYP3A4KCNH2NR1I2ADRB1
SCHEMBL2128961 0.71 MAOB (0.52) USP2CYP3A4KCNH2NR1I2ADRB1
SCHEMBL4087358 0.71 PTGER4 (0.55) KDM4EMEN1KMT2A
SCHEMBL11039373 0.69 ADRB1 (0.55) ADRB1KDM4ETDP1MEN1KMT2A
SCHEMBL4709035 0.69 MAOB (0.77) FFAR4FFAR1MRGPRX4MAOBNR4A2
SCHEMBL5295666 0.69 MEN1 (0.49) KDM4ETDP1MEN1KMT2AHDAC1
SCHEMBL22442339 0.67 MGLL (0.53) USP2CYP3A4KCNH2NR1I2ADRB1

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
EP-1654219-A2 HYDRAZIDE DERIVATIVES AS PROSTAGLANDIN RECEPTORS MODULATORS Applied Research Systems ARS Holding N.V. (AN) 2006-05-10 EP disclosed
WO-2005012232-A2 HYDRAZIDE DERIVATIVES AS PROSTAGLANDIN RECEPTORS MODULATORS APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (NL) 2005-02-10 WO disclosed