SCHEMBL5991900

SCHEMBL5991900

Oc1ccc(Cl)cc1Oc1cccc(F)c1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 1/20 0.44
PTGER2 P43116 1/20 0.44
SLC6A4 P31645 4/20 0.42
MRGPRX4 Q96LA9 1/20 0.42
HTR2A P28223 1/20 0.42
KCNH2 Q12809 1/20 0.42
L3MBTL1 Q9Y468 2/20 0.41
HTR1A P08908 3/20 0.40
SLC6A2 P23975 3/20 0.40
SLC6A3 Q01959 2/20 0.40
LMNA P02545 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
RHEB Q15382 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
USP2 O75604 1/20 0.39
KMT2A Q03164 1/20 0.39

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
SCHEMBL27447653 0.86 SLC6A2 (0.47) SLC6A4HTR1ASLC6A2SLC6A3USP2
SCHEMBL5989716 0.81 HTR2C (0.48) PTGER4SLC6A4HTR2AKCNH2L3MBTL1
SCHEMBL4514958 0.81 CYP1A2 (0.58) SMN1; SMN2CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL5989737 0.81 L3MBTL1 (0.63) SLC6A4MRGPRX4HTR2AKCNH2L3MBTL1
SCHEMBL4338407 0.80 SLC6A4 (0.50) SLC6A4HTR2AHTR1ASLC6A2SLC6A3
SCHEMBL5989471 0.77 LMNA (0.42) PTGER4PTGER2SLC6A4MRGPRX4HTR2A
SCHEMBL11296580 0.77 HPGD (0.53) SLC6A4HTR2AKCNH2SLC6A2SLC6A3
SCHEMBL9467645 0.77 FFAR1 (0.45) SLC6A4KCNH2SLC6A2SLC6A3
SCHEMBL20034248 0.77 SLC6A2 (0.43) SLC6A4HTR1ASLC6A2SLC6A3USP2
SCHEMBL4447285 0.76 PTGER4 (0.62) PTGER4PTGER2MRGPRX4L3MBTL1LMNA

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060257987-A1 Ppar modulators ELI LILLY AND COMPANY 2006-11-16 US disclosed
EP-1660428-A1 PPAR MODULATORS ELI LILLY AND COMPANY (US) 2006-05-31 EP disclosed
WO-2005019151-A1 PPAR MODULATORS ELI LILLY AND COMPANY (US) 2005-03-03 WO disclosed