SCHEMBL7109974

SCHEMBL7109974

CC(C)(C)OC(=O)Nc1ccc(C(F)(F)F)cc1C(=O)NC(C=O)C(C)(C)C

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 1/20 0.51
CCR2 P41597 13/20 0.47
CCR5 P51681 2/20 0.37
LMNA P02545 1/20 0.37
POLB P06746 1/20 0.37
CNR2 P34972 1/20 0.36
PLK1 P53350 1/20 0.36
NPSR1 Q6W5P4 1/20 0.35
MEN1 O00255 1/20 0.35
MAPT P10636 1/20 0.35
TSHR P16473 1/20 0.35
HTT P42858 1/20 0.35
KMT2A Q03164 1/20 0.35

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
SCHEMBL30137413 0.81 RXFP1 (0.59) RXFP1CCR2LMNAPOLBCNR2
SCHEMBL25026713 0.81 RXFP1 (0.59) RXFP1CCR2LMNAPOLBCNR2
SCHEMBL7109818 0.79 RXFP1 (0.51) RXFP1CCR2LMNAMEN1TSHR
SCHEMBL686427 0.79 RXFP1 (0.58) RXFP1CCR2LMNAPOLBPLK1
SCHEMBL7112858 0.78 CCR2 (0.44) CCR2
SCHEMBL1138788 0.78 RXFP1 (0.57) RXFP1CCR2LMNAPOLBCNR2
SCHEMBL7154000 0.77 L3MBTL1 (0.42) RXFP1CCR2CCR5LMNAPLK1
SCHEMBL7106212 0.77 RXFP1 (0.55) RXFP1CCR2LMNAPOLBCNR2
SCHEMBL14555701 0.77 RXFP1 (0.56) RXFP1CCR2LMNAPOLBCNR2
SCHEMBL2995691 0.76 CCR2 (0.58) RXFP1CCR2CCR5LMNAPOLB

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 claimed
WO-2002050019-A2 DIAMINES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY BRISTOL-MYERS SQUIBB PHARMA CO. (US) 2002-06-27 WO claimed