SCHEMBL7109895

SCHEMBL7109895

NC(=O)CCNC(=O)CNC(=O)c1cccc(C(F)(F)F)c1

nearest known ligand 0.59

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.59
ALDH1A1 P00352 1/20 0.59
CCR2 P41597 8/20 0.58
GPR139 Q6DWJ6 1/20 0.57
HTT P42858 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.56
HDAC3 O15379 1/20 0.54
HDAC1 Q13547 1/20 0.54
TP53BP1 Q12888 1/20 0.53
TP53 P04637 1/20 0.50
PTGS1 P23219 1/20 0.50

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
SCHEMBL7641409 0.85 POLB (0.65) POLBALDH1A1CCR2GPR139HTT
SCHEMBL14528906 0.80 GPR139 (0.66) POLBALDH1A1CCR2GPR139HTT
SCHEMBL14528425 0.80 GPR139 (0.62) POLBALDH1A1CCR2GPR139HTT
SCHEMBL30407428 0.78 POLB (0.67) POLBALDH1A1CCR2GPR139HTT
SCHEMBL613062 0.78 POLB (0.67) POLBALDH1A1CCR2GPR139HTT
SCHEMBL7109292 0.78 GPR139 (0.70) POLBALDH1A1CCR2GPR139HTT
SCHEMBL27970190 0.77 POLB (0.74) POLBALDH1A1HDAC3HDAC1TP53BP1
SCHEMBL17923260 0.77 ALDH1A1 (0.51) POLBALDH1A1HDAC3HDAC1TP53BP1
SCHEMBL23014295 0.76 GPR139 (0.64) POLBALDH1A1CCR2GPR139HTT
SCHEMBL8947129 0.76 POLB (0.68) POLBALDH1A1CCR2GPR139HTT

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