SCHEMBL3937880

SCHEMBL3937880

CC(C)(C)CN1CCc2c(ccnc2Nc2cnc3ccccc3c2)C1

nearest known ligand 0.74

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
FAAH O00519 11/20 0.74
TRPV1 Q8NER1 1/20 0.42
TNF P01375 1/20 0.40
GRM4 Q14833 1/20 0.39
HTR7 P34969 1/20 0.38
HTR6 P50406 1/20 0.38
IGF1R P08069 3/20 0.38
EGFR P00533 1/20 0.38
INSR P06213 1/20 0.38
MET P08581 1/20 0.38
CDK2 P24941 1/20 0.38
KDR P35968 1/20 0.38
TEK Q02763 1/20 0.38
ABCB1 P08183 1/20 0.37
ABCG2 Q9UNQ0 1/20 0.37
HTR3A P46098 1/20 0.37

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
SCHEMBL3939141 0.86 FAAH (0.74) FAAHTRPV1TNFGRM4HTR7
SCHEMBL3933752 0.85 FAAH (0.89) FAAH
SCHEMBL3936220 0.85 FAAH (1.00) FAAH
SCHEMBL4012669 0.85 FAAH (0.79) FAAHTRPV1TNFHTR7HTR6
SCHEMBL4019421 0.84 FAAH (0.70) FAAHTRPV1TNFGRM4HTR7
SCHEMBL4019416 0.84 FAAH (0.70) FAAHTRPV1TNFGRM4HTR7
SCHEMBL3935343 0.83 FAAH (0.89) FAAHKDRABCB1ABCG2
SCHEMBL3931765 0.83 FAAH (0.79) FAAHTRPV1GRM4HTR7HTR6
SCHEMBL4017519 0.83 FAAH (0.76) FAAHTRPV1TNFHTR7HTR6
SCHEMBL3937615 0.83 FAAH (1.00) FAAHHTR7HTR6ABCB1ABCG2

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