SCHEMBL4069794

SCHEMBL4069794

Cc1cc(Cl)ccc1Oc1ccc(N(C=O)c2c(C)cccc2C)c(N)n1

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAP4K4 O95819 2/20 0.36
MRGPRX4 Q96LA9 2/20 0.36
SLC6A2 P23975 4/20 0.35
SLC6A4 P31645 4/20 0.35
SLC6A3 Q01959 3/20 0.35
DCK P27707 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C19 P33261 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
ICAM1 P05362 1/20 0.34
SELE P16581 1/20 0.34
P2RX3 P56373 1/20 0.33

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
SCHEMBL4069077 0.79 CYP1A2 (0.41) MRGPRX4SLC6A2SLC6A4SLC6A3CYP1A2
SCHEMBL4073212 0.76 CYP1A2 (0.41) MRGPRX4SLC6A2SLC6A4SLC6A3CYP1A2
SCHEMBL4068452 0.74 CYP3A4 (0.44) MAP4K4SLC6A2SLC6A4SLC6A3DCK
SCHEMBL4066243 0.72 CYP1A2 (0.40) MRGPRX4SLC6A2SLC6A4SLC6A3CYP1A2
SCHEMBL4069795 0.71 ALDH1A1 (0.43) MRGPRX4MEN1KMT2AL3MBTL1
SCHEMBL4062644 0.69 CYP3A4 (0.44) SLC6A2SLC6A4SLC6A3CYP1A2CYP3A4
SCHEMBL4072610 0.68 TYK2 (0.42) MRGPRX4MEN1KMT2A
SCHEMBL4065194 0.68 ALDH1A1 (0.58) CYP2C19MEN1KMT2AL3MBTL1
SCHEMBL4069042 0.66 OXTR (0.41) MRGPRX4SLC6A4MEN1KMT2AL3MBTL1
SCHEMBL4061081 0.65 KDM4E (0.33) MRGPRX4MEN1KMT2AL3MBTL1

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 disclosed
EP-1028945-B1 SUBSTITUTED PYRIDINE COMPOUNDS AS ANTI-INFLAMMATORY AGENTS AMGEN INC (US) 2007-07-11 EP disclosed