SCHEMBL4013329

SCHEMBL4013329

FC1(F)Oc2cccc(CN3CCc4c(ccnc4Nc4cnc5ccccc5c4)C3)c2O1

nearest known ligand 0.65

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
FAAH O00519 11/20 0.65
KDR P35968 2/20 0.36
JAK2 O60674 1/20 0.36
JAK1 P23458 1/20 0.36
DRD2 P14416 1/20 0.36
DRD1 P21728 1/20 0.36
TRPV1 Q8NER1 1/20 0.34
KDM4E B2RXH2 1/20 0.34
NPC1 O15118 1/20 0.34
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
HPGD P15428 1/20 0.34
HTT P42858 1/20 0.34
RAB9A P51151 1/20 0.34
GFER P55789 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
HTR6 P50406 2/20 0.34
HTR7 P34969 1/20 0.34
MAPT P10636 1/20 0.34

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
SCHEMBL4022293 0.87 FAAH (0.69) FAAHKDRKDM4ENPC1ALDH1A1
SCHEMBL3933752 0.80 FAAH (0.89) FAAHNPC1RAB9A
SCHEMBL3936220 0.80 FAAH (1.00) FAAHNPC1RAB9AMAPT
SCHEMBL3941447 0.79 FAAH (0.70) FAAHKDRTRPV1
SCHEMBL3933423 0.79 FAAH (0.87) FAAHNPC1ALDH1A1RAB9A
SCHEMBL4014452 0.78 FAAH (0.68) FAAHKDRKDM4ENPC1ALDH1A1
SCHEMBL3931765 0.78 FAAH (0.79) FAAHDRD2TRPV1NPC1RAB9A
SCHEMBL3935343 0.78 FAAH (0.89) FAAHKDRNPC1ALDH1A1RAB9A
SCHEMBL4013456 0.78 FAAH (0.69) FAAHKDRTRPV1KDM4ENPC1
SCHEMBL3935112 0.77 FAAH (0.87) FAAHNPC1LMNARAB9AMAPT

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