SCHEMBL7111160

SCHEMBL7111160

O=C(Nc1cc[c]cc1C(F)(F)F)C1CCCCC1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.47
MEN1 O00255 1/20 0.47
TSHR P16473 1/20 0.47
RXFP1 Q9HBX9 4/20 0.46
CETP P11597 1/20 0.46
HDAC3 O15379 1/20 0.46
HDAC1 Q13547 1/20 0.46
HDAC2 Q92769 1/20 0.46
GAA P10253 1/20 0.44
PTPN1 P18031 1/20 0.43
HPGD P15428 1/20 0.43
MAPT P10636 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
KCNJ11 Q14654 1/20 0.43

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
SCHEMBL7607788 0.80 MAPT (0.62) KMT2AMEN1RXFP1CETPHDAC3
SCHEMBL30136216 0.80 MAPT (0.62) KMT2AMEN1RXFP1CETPHDAC3
SCHEMBL2893938 0.76 GAA (0.52) KMT2ACETPHDAC3HDAC1HDAC2
SCHEMBL7113819 0.75 MAPT (0.37) KMT2AMEN1GAAMAPTSMN1; SMN2
SCHEMBL7107830 0.73 ALDH1A1 (0.44) KMT2AMEN1TSHRMAPTSMN1; SMN2
SCHEMBL687471 0.72 POLB (0.47) KMT2AMEN1TSHRHDAC3HDAC1
SCHEMBL2893787 0.71 KMT2A (0.50) KMT2AMEN1TSHRCETPHDAC3
SCHEMBL5217967 0.71 KMT2A (0.42) KMT2AMEN1GAAHPGDMAPT
SCHEMBL693169 0.71 PTPN1 (0.69) KMT2AMEN1PTPN1HPGDMAPT
SCHEMBL2903210 0.71 SMN1; SMN2 (0.64) KMT2AMEN1TSHRRXFP1GAA

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-1351924-A2 DIAMINES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY Bristol-Myers Squibb Pharma Company (US) 2003-10-15 EP disclosed
WO-2002050019-A2 DIAMINES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY BRISTOL-MYERS SQUIBB PHARMA CO. (US) 2002-06-27 WO disclosed