SCHEMBL4485168

SCHEMBL4485168

O=c1[nH]ccc(OCc2ccccc2C(F)(F)F)c1Br

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.47
IDO1 P14902 2/20 0.44
MAOB P27338 4/20 0.43
MAOA P21397 1/20 0.43
SLC6A4 P31645 1/20 0.41
FFAR1 O14842 1/20 0.41
FFAR4 Q5NUL3 1/20 0.41
HCAR2 Q8TDS4 1/20 0.40
SGMS2 Q8NHU3 1/20 0.39
DAO P14920 1/20 0.39
AR P10275 2/20 0.38
TACR1 P25103 1/20 0.36
CHEK1 O14757 1/20 0.36
RXRA P19793 1/20 0.36
RXRB P28702 1/20 0.36
RXRG P48443 1/20 0.36

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
SCHEMBL4379080 0.72 MAPK14 (0.52)
SCHEMBL7249926 0.71 MRGPRX4 (0.49) PTPN1IDO1MAOBMAOASLC6A4
SCHEMBL4489354 0.71 MAPK14 (0.70) PTPN1IDO1MAOBFFAR1FFAR4
SCHEMBL4381782 0.71 MAPK14 (0.49) PTPN1MAOBMAOASLC6A4FFAR1
SCHEMBL27299287 0.69 HSD17B10 (0.41) DAO
SCHEMBL10391261 0.69 TAS2R14 (0.47) PTPN1MAOBMAOAFFAR1FFAR4
SCHEMBL13154275 0.68 FFAR1 (0.57) IDO1MAOBMAOASLC6A4FFAR1
SCHEMBL2292699 0.68 IDO1 (0.54) PTPN1IDO1MAOBMAOASLC6A4
SCHEMBL29452503 0.68 ALDH1A1 (0.54) PTPN1IDO1MAOBMAOASLC6A4
SCHEMBL29629421 0.67 ALDH1A1 (0.62) IDO1MAOBMAOAFFAR1FFAR4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7629363-B2 antiinflammatory agent for treating asthma and chronic pulmonary inflammatory disease PFIZER INC (US) 2009-12-08 US disclosed