SCHEMBL5982965

SCHEMBL5982965

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

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.48
HTR2A P28223 3/20 0.48
HTR2B P41595 3/20 0.48
USP2 O75604 2/20 0.48
CYP1A2 P05177 2/20 0.48
CYP2D6 P10635 2/20 0.48
HTR2C P28335 2/20 0.48
ADRA2C P18825 2/20 0.48
SLC6A4 P31645 2/20 0.48
ADRA1A P35348 2/20 0.48
DRD3 P35462 2/20 0.48
NR1I2 O75469 1/20 0.48
ADRB1 P08588 1/20 0.48
HTR1A P08908 1/20 0.48
ADRA2A P08913 1/20 0.48
ADORA3 P0DMS8 1/20 0.48
ADRA2B P18089 1/20 0.48
CHRM3 P20309 1/20 0.48
SLC6A2 P23975 1/20 0.48
HRH1 P35367 1/20 0.48

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
SCHEMBL4937196 0.91 PTGER4 (0.54) CYP3A4HTR2AHTR2BUSP2CYP1A2
SCHEMBL5982869 0.87 USP2 (0.42) CYP3A4HTR2AHTR2BUSP2CYP1A2
SCHEMBL5982971 0.79 CYP3A4 (0.43) CYP3A4HTR2AHTR2BUSP2CYP1A2
SCHEMBL13992256 0.78 PTGER4 (0.59) CYP3A4HTR2AHTR2BUSP2CYP1A2
SCHEMBL20897899 0.78 KDM4E (0.66) CYP3A4HTR2AHTR2BUSP2CYP1A2
SCHEMBL5982080 0.77 PTGER4 (0.52) CYP3A4HTR2AHTR2BUSP2CYP1A2
SCHEMBL5616680 0.77 CYP3A4 (0.43) CYP3A4HTR2AHTR2BUSP2CYP1A2
SCHEMBL4082519 0.73 PTGER4 (0.76) PTGER4PTGER2
SCHEMBL4086100 0.73 PTGER4 (0.66) CYP3A4HTR2AHTR2BUSP2CYP1A2
SCHEMBL2128961 0.73 MAOB (0.52) CYP3A4HTR2AHTR2BUSP2CYP1A2

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