SCHEMBL5749663

SCHEMBL5749663

ClC1[CH]Cc2ccccc21

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 4/20 0.38
RET P07949 1/20 0.34
HTR2C P28335 1/20 0.34
HRH1 P35367 1/20 0.34
GRIN2D O15399 1/20 0.33
GRIN3B O60391 1/20 0.33
GRIN1 Q05586 1/20 0.33
GRIN2A Q12879 1/20 0.33
GRIN2B Q13224 1/20 0.33
GRIN2C Q14957 1/20 0.33
GRIN3A Q8TCU5 1/20 0.33
ANPEP P15144 1/20 0.33
KDM1A O60341 2/20 0.32
PRCP P42785 1/20 0.32
CHRNB2 P17787 1/20 0.32
CHRNA4 P43681 1/20 0.32
IDO1 P14902 1/20 0.32
PDPK1 O15530 1/20 0.32

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
SCHEMBL22328101 0.77 HTR2A (0.35) HTR2ARETHTR2CHRH1GRIN2D
SCHEMBL6629432 0.71 HTR2A (0.48) HTR2ARETHTR2CHRH1ANPEP
SCHEMBL6763552 0.71 HTR2A (0.38) HTR2ARETHTR2CHRH1GRIN2D
SCHEMBL5751646 0.71 HTR2A (0.38) HTR2AHTR2CHRH1PRCPCHRNB2
SCHEMBL528662 0.71 HTR2A (0.38) HTR2ARETHTR2CHRH1GRIN2D
SCHEMBL3078945 0.71 HTR2A (0.38) HTR2ARETHTR2CHRH1GRIN2D
SCHEMBL3426562 0.71 HTR2A (0.38) HTR2ARETHTR2CHRH1GRIN2D
SCHEMBL7680505 0.71 HTR2A (0.34) HTR2ARETHTR2CHRH1GRIN2D
SCHEMBL3389204 0.68 HTR2A (0.35) HTR2ARETHTR2CHRH1GRIN2D
SCHEMBL20536825 0.67 HTR2A (0.61) HTR2AHTR2CHRH1ANPEP

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
EP-1660427-A4 SUBSTITUTED ARYLALKANOIC ACID DERIVATIVE AND USE THEREOF ASAHI KASEI PHARMA CORP (JP) 2006-12-20 EP disclosed
EP-1660427-A1 SUBSTITUTED ARYLALKANOIC ACID DERIVATIVE AND USE THEREOF Asahi Kasei Pharma Corporation (JP) 2006-05-31 EP disclosed
WO-2005016862-A1 SUBSTITUTED ARYLALKANOIC ACID DERIVATIVE AND USE THEREOF ASAHI KASEI PHARMA CORPORATION (JP) 2005-02-24 WO disclosed