SCHEMBL3934738

SCHEMBL3934738

O=S(=O)(c1cccc(Oc2ccc(Cl)c(Cl)c2)c1)N1CCc2c(ccnc2Nc2cnc3ccccc3c2)C1

nearest known ligand 0.72

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
FAAH O00519 11/20 0.72
ALPL P05186 1/20 0.39
AKR1C3 P42330 1/20 0.38
AKR1C2 P52895 1/20 0.38
MKNK1 Q9BUB5 2/20 0.37
LMNA P02545 2/20 0.35
ALDH1A1 P00352 2/20 0.35
MAPK1 P28482 1/20 0.35
HTT P42858 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
KDM4E B2RXH2 1/20 0.35
POLB P06746 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
ADRB3 P13945 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
SCHEMBL3937394 0.94 FAAH (0.75) FAAHMKNK1LMNAALDH1A1MAPK1
SCHEMBL3933101 0.90 FAAH (0.73) FAAHALPLAKR1C3MKNK1
SCHEMBL3934606 0.90 FAAH (0.80) FAAHALPLAKR1C3AKR1C2LMNA
SCHEMBL3944150 0.88 FAAH (0.70) FAAHALPL
SCHEMBL3932545 0.88 FAAH (0.79) FAAHALPLAKR1C3MKNK1
SCHEMBL3931396 0.88 FAAH (0.85) FAAHMKNK1LMNAALDH1A1MAPK1
SCHEMBL3939612 0.87 FAAH (0.83) FAAHAKR1C3AKR1C2MKNK1LMNA
SCHEMBL3933876 0.85 FAAH (0.76) FAAHMKNK1LMNAALDH1A1MAPK1
SCHEMBL3939941 0.85 FAAH (0.76) FAAHALPLAKR1C3MKNK1LMNA
SCHEMBL3942978 0.85 FAAH (0.86) FAAHLMNAALDH1A1MAPK1HTT

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-2009011904-A1 COMPOUNDS USEFUL AS FAAH MODULATORS AND USES THEREOF RENOVIS, INC. (US) 2009-01-22 WO disclosed