SCHEMBL8550604

SCHEMBL8550604

CCC(CC(Oc1cc(OCc2ccccc2)ccc1C#N)c1ccccc1)C(=O)O

nearest known ligand 0.60

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.50
SLC6A2 P23975 1/20 0.50
SLC6A4 P31645 1/20 0.50
NOS2 P35228 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
SCHEMBL8549667 0.84 MAOB (0.53)
SCHEMBL8551507 0.83 PPARA (0.42)
SCHEMBL8551123 0.83 PARP15 (0.47)
SCHEMBL8545547 0.82 PPARA (0.47)
SCHEMBL8550070 0.82 KMT2A (0.50)
SCHEMBL7908798 0.82 CYP2D6 (0.56) CYP2D6SLC6A2SLC6A4NOS2
SCHEMBL7908799 0.82 CYP2D6 (0.56) CYP2D6SLC6A2SLC6A4NOS2
SCHEMBL8545384 0.81 PPARA (0.50)
SCHEMBL8550601 0.81 CYP2D6 (0.53) CYP2D6SLC6A2SLC6A4NOS2
SCHEMBL8550287 0.80

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0728128-B1 SUBSTITUTED PHENYL COMPOUNDS RHONE POULENC RORER LTD (GB) 1998-09-16 EP claimed