SCHEMBL4729308

SCHEMBL4729308

Cc1ccc(C(O)CNc2ccnc(Cl)n2)cc1

nearest known ligand 0.49

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
FAAH O00519 10/20 0.46
ALDH1A1 P00352 1/20 0.45
MAPT P10636 1/20 0.45
CYP2D6 P10635 1/20 0.44
NR3C2 P08235 1/20 0.41
HTT P42858 1/20 0.39
ESR1 P03372 1/20 0.36
GRM5 P41594 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
SCHEMBL14292081 0.86 CYP2D6 (0.61) FAAHCYP2D6
SCHEMBL4847869 0.86 CYP2D6 (0.61) FAAHCYP2D6
SCHEMBL4726854 0.86 CYP2D6 (0.61) FAAHCYP2D6
SCHEMBL4725654 0.84 FAAH (0.49) FAAHCYP2D6HTT
SCHEMBL4779880 0.83 FAAH (0.49) FAAHCYP2D6
SCHEMBL4730814 0.80 CDK2 (0.52) FAAHALDH1A1MAPTCYP2D6
SCHEMBL4798934 0.79 AURKA (0.54) FAAHCYP2D6
SCHEMBL4728067 0.78 ADRB2 (0.40) FAAHALDH1A1CYP2D6NR3C2
SCHEMBL4779928 0.77 AURKA (0.52) FAAHALDH1A1MAPTCYP2D6HTT
SCHEMBL4797882 0.77 CDK4 (0.51) FAAHMAPTHTT

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-2008024634-A1 PYRIMDINE COMPOUNDS USEFUL AS KINASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2008-02-28 WO disclosed