SCHEMBL7112683

SCHEMBL7112683

CC(C)Nc1cc[c]cc1C(F)(F)F

nearest known ligand 0.36

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 1/20 0.36
PDE3A Q14432 1/20 0.36
AR P10275 2/20 0.33
TLR7 Q9NYK1 1/20 0.30

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
SCHEMBL7111154 0.83 TP53 (0.39)
SCHEMBL7113956 0.78 TLR7 (0.40) PDE3BPDE3AARTLR7
SCHEMBL687471 0.77 POLB (0.47)
SCHEMBL7113832 0.76 PDE3B (0.35) PDE3BPDE3A
SCHEMBL7110018 0.75 PDE3B (0.36) PDE3BPDE3AAR
SCHEMBL27836346 0.75 SOS1 (0.43)
SCHEMBL8172740 0.73 ALDH1A1 (0.53)
SCHEMBL7112341 0.72 PDE3B (0.38) PDE3BPDE3AARTLR7
SCHEMBL2209235 0.72 SLC22A12 (0.43)
SCHEMBL2103829 0.72 NR4A2 (0.35)

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