SCHEMBL4060994

SCHEMBL4060994

Cc1cc(Cl)ccc1Oc1ccc(Nc2c(Cl)cccc2Cl)cn1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM4 Q14833 2/20 0.47
GRM8 O00222 1/20 0.47
GRM7 Q14831 1/20 0.47
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C19 P33261 1/20 0.43
SLC6A2 P23975 4/20 0.41
SLC6A4 P31645 4/20 0.41
SLC6A3 Q01959 2/20 0.41
KMT2A Q03164 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
MEN1 O00255 1/20 0.40
USP2 O75604 1/20 0.40
PABPC1 P11940 1/20 0.40
HTR2C P28335 2/20 0.39
HTR2B P41595 2/20 0.39
HTR2A P28223 1/20 0.39
KEAP1 Q14145 1/20 0.39
LMNA P02545 1/20 0.38
SRC P12931 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
SCHEMBL4065167 0.82 SLC6A2 (0.49) GRM4GRM8GRM7CYP1A2CYP3A4
SCHEMBL4061697 0.81 GRM8 (0.55) GRM4GRM8GRM7HTR2CHTR2B
SCHEMBL4065181 0.78 GRM4 (0.57) GRM4GRM8GRM7KMT2AMEN1
SCHEMBL4058614 0.77 GRM8 (0.53) GRM4GRM8GRM7HTR2CHTR2B
SCHEMBL4060811 0.74 GRM8 (0.56) GRM4GRM8GRM7KMT2AMEN1
SCHEMBL17244759 0.74 GRM8 (0.51) GRM4GRM8GRM7HTR2CHTR2B
SCHEMBL4062244 0.74 PNLIP (0.60) GRM4GRM8GRM7CYP2C19KMT2A
SCHEMBL4061973 0.73 KDM4E (0.60) CYP1A2CYP3A4CYP2C19SLC6A2SLC6A4
SCHEMBL4064115 0.73 GRM8 (0.52) GRM4GRM8GRM7KMT2AMEN1
SCHEMBL4066243 0.72 CYP1A2 (0.40) GRM4GRM8GRM7CYP1A2CYP3A4

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-1028945-B9 SUBSTITUTED PYRIDINE COMPOUNDS AS ANTI-INFLAMMATORY AGENTS AMGEN INC (US) 2009-02-18 EP claimed
EP-1028945-B1 SUBSTITUTED PYRIDINE COMPOUNDS AS ANTI-INFLAMMATORY AGENTS AMGEN INC (US) 2007-07-11 EP claimed