SCHEMBL15047205

SCHEMBL15047205

CCN1C=C(Sc2ccc(Cl)cn2)C(c2ccc(C3CC3C(=O)O)cc2)N1

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
FAAH O00519 16/20 0.48
CNR1 P21554 1/20 0.46
ACHE P22303 1/20 0.46
PDE4A P27815 1/20 0.46
PDE4B Q07343 1/20 0.46
PDE4C Q08493 1/20 0.46
PDE4D Q08499 1/20 0.46
KCNH2 Q12809 1/20 0.46
FFAR4 Q5NUL3 1/20 0.35
FFAR1 O14842 2/20 0.35
CYP4F2 P78329 1/20 0.33
CYP4A11 Q02928 1/20 0.33

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
SCHEMBL8004670 0.75 FAAH (0.54) FAAHCNR1ACHEPDE4APDE4B
SCHEMBL2681410 0.73 FAAH (0.85) FAAHCNR1ACHEPDE4APDE4B
SCHEMBL1728639 0.73 FAAH (0.85) FAAHCNR1ACHEPDE4APDE4B
SCHEMBL2681115 0.71 FAAH (0.57) FAAHCNR1ACHEPDE4APDE4B
SCHEMBL2681853 0.70 FAAH (0.82) FAAHCNR1ACHEPDE4APDE4B
SCHEMBL2682610 0.69 FAAH (0.81) FAAHCNR1ACHEPDE4APDE4B
SCHEMBL1002928 0.68 FAAH (0.58) FAAHCNR1ACHEPDE4APDE4B
SCHEMBL8002500 0.67 FAAH (0.64) FAAHCNR1ACHEPDE4APDE4B
SCHEMBL301295 0.67 SLC9A1 (0.60) CNR1FFAR1
SCHEMBL3751420 0.67 SLC9A1 (0.60) CNR1FFAR1

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-2299824-B1 PYRAZOLE DERIVATIVES USEFUL AS INHIBITORS OF FAAH MERCK SHARP & DOHME (US) 2013-06-19 EP disclosed