SCHEMBL4013456

SCHEMBL4013456

c1ccc(Cn2cncn2)c(CN2CCc3c(ccnc3Nc3cnc4ccccc4c3)C2)c1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 11/20 0.69
KDR P35968 3/20 0.34
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
HTR7 P34969 1/20 0.34
HTR6 P50406 1/20 0.34
GRM4 Q14833 1/20 0.34
IGF1R P08069 2/20 0.34
EGFR P00533 1/20 0.34
INSR P06213 1/20 0.34
MET P08581 1/20 0.34
CDK2 P24941 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
SCHEMBL3935343 0.82 FAAH (0.89) FAAHKDRNPC1ALDH1A1RAB9A
SCHEMBL3936220 0.82 FAAH (1.00) FAAHNPC1RAB9A
SCHEMBL3933752 0.82 FAAH (0.89) FAAHNPC1RAB9A
SCHEMBL3941123 0.81 FAAH (0.86) FAAHNPC1RAB9A
SCHEMBL3931765 0.81 FAAH (0.79) FAAHTRPV1NPC1RAB9AHTR7
SCHEMBL4022293 0.80 FAAH (0.69) FAAHKDRKDM4ENPC1ALDH1A1
SCHEMBL3935112 0.80 FAAH (0.87) FAAHNPC1LMNARAB9AIGF1R
SCHEMBL3933423 0.80 FAAH (0.87) FAAHNPC1ALDH1A1RAB9A
SCHEMBL4014452 0.79 FAAH (0.68) FAAHKDRKDM4ENPC1ALDH1A1
SCHEMBL4013901 0.79 FAAH (0.70) FAAHLMNAHTTHTR6GRM4

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