SCHEMBL4355671

SCHEMBL4355671

N#Cc1cc2[nH]cc(CCC(=O)O)c2cc1F

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.51
CYP2C19 P33261 1/20 0.51
MPO P05164 5/20 0.44
GPR17 Q13304 1/20 0.42
GPR84 Q9NQS5 2/20 0.42
TSHR P16473 1/20 0.41
SLC6A4 P31645 2/20 0.40
FFAR1 O14842 3/20 0.40
FFAR4 Q5NUL3 3/20 0.40
HTR7 P34969 1/20 0.39
HTR2B P41595 1/20 0.39
TSPO P30536 1/20 0.37
DRD3 P35462 1/20 0.37
S1PR1 P21453 1/20 0.37

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
SCHEMBL1420569 0.83 CYP2D6 (0.47) CYP2C19MPOHTR2B
SCHEMBL13497613 0.81 GPR84 (0.46) MPOGPR84SLC6A4
SCHEMBL13540046 0.80 GPR84 (0.43) MPOGPR84SLC6A4HTR2B
SCHEMBL26202021 0.76 HTR2A (0.55) MPOGPR84TSHRHTR7HTR2B
SCHEMBL1537936 0.76 HPGD (0.64) HPGDCYP2C19MPOSLC6A4DRD3
SCHEMBL10078603 0.76 CDK2 (0.53) HPGDCYP2C19GPR17SLC6A4FFAR1
SCHEMBL29902243 0.73 MPO (0.76) HPGDCYP2C19MPOGPR84TSHR
SCHEMBL5637957 0.73 HTR2A (0.63) HPGDCYP2C19MPOGPR84TSHR
SCHEMBL3655654 0.73 MPO (0.76) HPGDCYP2C19MPOGPR84TSHR
SCHEMBL3416926 0.72 TDO2 (0.57) HPGD

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
WO-2009153307-A1 COMPOUNDS GLAXO GROUP LIMITED (GB) 2009-12-23 WO disclosed