SCHEMBL4012669

SCHEMBL4012669

OCCN1CCc2c(ccnc2Nc2cnc3ccccc3c2)C1

nearest known ligand 0.79

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
FAAH O00519 11/20 0.79
ABCB1 P08183 3/20 0.43
ABCG2 Q9UNQ0 2/20 0.43
HTR6 P50406 2/20 0.43
HTR7 P34969 1/20 0.43
CDK2 P24941 2/20 0.41
CCNE2 O96020 1/20 0.41
CCNE1 P24864 1/20 0.41
TRPV1 Q8NER1 1/20 0.41
TNF P01375 1/20 0.40
EGFR P00533 1/20 0.40
INSR P06213 1/20 0.40
IGF1R P08069 1/20 0.40
MET P08581 1/20 0.40
KDR P35968 1/20 0.40
TEK Q02763 1/20 0.40

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
SCHEMBL4017519 0.94 FAAH (0.76) FAAHABCB1ABCG2HTR6HTR7
SCHEMBL3937615 0.88 FAAH (1.00) FAAHABCB1ABCG2HTR6HTR7
SCHEMBL4013784 0.87 FAAH (1.00) FAAHABCB1ABCG2
SCHEMBL4019416 0.87 FAAH (0.70) FAAHABCB1ABCG2HTR6HTR7
SCHEMBL4019421 0.87 FAAH (0.70) FAAHABCB1ABCG2HTR6HTR7
SCHEMBL3933752 0.86 FAAH (0.89) FAAH
SCHEMBL3936220 0.86 FAAH (1.00) FAAH
SCHEMBL3933591 0.86 FAAH (0.88) FAAHABCB1ABCG2
SCHEMBL3929528 0.86 FAAH (0.85) FAAHABCB1ABCG2HTR6HTR7
SCHEMBL3941332 0.86 FAAH (0.88) FAAHABCB1ABCG2

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