SCHEMBL4022295

SCHEMBL4022295

c1cc(Cc2cc3c(c(Nc4cnc5ccccc5c4)n2)CCNC3)c2c(c1)OCO2

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 9/20 0.38
HTR2B P41595 6/20 0.38
TNF P01375 1/20 0.35
KDM4E B2RXH2 2/20 0.34
NPC1 O15118 2/20 0.34
ALDH1A1 P00352 2/20 0.34
LMNA P02545 2/20 0.34
HPGD P15428 2/20 0.34
HTT P42858 2/20 0.34
RAB9A P51151 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
GFER P55789 1/20 0.34
GRM4 Q14833 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
HTR1A P08908 1/20 0.33
DRD2 P14416 1/20 0.33
HTR2A P28223 1/20 0.33
HTR2C P28335 1/20 0.33
HTR7 P34969 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
SCHEMBL2488475 0.79 TNF (0.36) FAAHHTR2BTNFKDM4ENPC1
SCHEMBL3932067 0.73 FAAH (0.58) FAAHTNFGRM4
SCHEMBL4022293 0.72 FAAH (0.69) FAAHKDM4ENPC1ALDH1A1LMNA
SCHEMBL2488473 0.68 FAAH (0.43) FAAHTNFKDM4ENPC1ALDH1A1
SCHEMBL4871345 0.67 GRM4 (0.44) FAAHTNFGRM4HTR2C
SCHEMBL5793884 0.67 GRM4 (0.39) FAAHTNFKDM4ENPC1ALDH1A1
SCHEMBL24455072 0.64 DYRK1A (0.49) KDM4ENPC1ALDH1A1LMNAHPGD
SCHEMBL29561930 0.64 DYRK1A (0.49) KDM4ENPC1ALDH1A1LMNAHPGD
SCHEMBL2457512 0.59 GRM4 (0.46) FAAHTNFKDM4ENPC1ALDH1A1
Hydrochloric Acid SCHEMBL2458164 0.58 GRM4 (0.46) FAAHTNFKDM4ENPC1ALDH1A1

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