SCHEMBL4730749

SCHEMBL4730749

CC(=O)N1Cc2ccc(CCCCCl)cc2C1

nearest known ligand 0.47

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 2/20 0.47
NAMPT P43490 8/20 0.45
S1PR1 P21453 1/20 0.41
HRH3 Q9Y5N1 2/20 0.39
RORC P51449 1/20 0.36

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
SCHEMBL4728102 0.82 ESR1 (0.45) NAMPTS1PR1
SCHEMBL12660102 0.79 NOTUM (0.56) NOTUMNAMPTHRH3RORC
SCHEMBL14590650 0.77 NOTUM (0.55) NOTUMNAMPTRORC
SCHEMBL4728167 0.76 MCHR1 (0.50) NOTUMHRH3
SCHEMBL14590628 0.75 NAMPT (0.53) NOTUMNAMPTHRH3RORC
SCHEMBL14590652 0.74 NAMPT (0.57) NOTUMNAMPT
SCHEMBL14590625 0.72 NAMPT (0.49) NOTUMNAMPTHRH3RORC
SCHEMBL5766935 0.72 NOTUM (0.49) NOTUMNAMPT
SCHEMBL16284194 0.72 NOTUM (0.60) NOTUMNAMPT
SCHEMBL8203535 0.71 NOTUM (0.56) NOTUMHRH3

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
WO-2008020306-A2 ISOINDOLE DERIVATIVES PFIZER PRODUCTS INC. (US) 2008-02-21 WO disclosed