SCHEMBL7109818

SCHEMBL7109818

CC(C)(C)C(C=O)NC(=O)c1cc(C(F)(F)F)ccc1NC(=O)C1CCCCC1

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 9/20 0.51
KMT2A Q03164 2/20 0.49
MEN1 O00255 1/20 0.49
TSHR P16473 1/20 0.49
CCR2 P41597 2/20 0.47
GAA P10253 1/20 0.41
ALDH1A1 P00352 2/20 0.41
HPGD P15428 1/20 0.41
RAB9A P51151 1/20 0.41
LMNA P02545 1/20 0.41
KDM4E B2RXH2 1/20 0.41
HSD17B10 Q99714 1/20 0.41
ADRB2 P07550 1/20 0.40
HRH1 P35367 1/20 0.40
DRD3 P35462 1/20 0.40
GLP1R P43220 1/20 0.40
FFAR4 Q5NUL3 1/20 0.40
GPR119 Q8TDV5 1/20 0.40

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
SCHEMBL7109974 0.79 RXFP1 (0.51) RXFP1KMT2AMEN1TSHRCCR2
SCHEMBL5114074 0.78 KMT2A (0.62) RXFP1KMT2AMEN1TSHRCCR2
SCHEMBL7112858 0.75 CCR2 (0.44) CCR2ALDH1A1HPGDKDM4EHSD17B10
SCHEMBL7154000 0.74 L3MBTL1 (0.42) RXFP1KMT2AMEN1TSHRCCR2
SCHEMBL32662692 0.73 KMT2A (0.73) RXFP1KMT2AMEN1TSHRGAA
SCHEMBL5577029 0.72 LIPC (0.61) RXFP1KMT2AMEN1TSHRCCR2
SCHEMBL9389068 0.70 KMT2A (0.60) RXFP1KMT2AMEN1TSHRCCR2
SCHEMBL15530482 0.69 RXFP1 (0.72) RXFP1KMT2AMEN1TSHRALDH1A1
SCHEMBL21394364 0.69 KMT2A (0.59) RXFP1KMT2AMEN1TSHRALDH1A1
SCHEMBL7168919 0.69 RXFP1 (0.41) RXFP1KMT2AMEN1GAAALDH1A1

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