SCHEMBL27907613

SCHEMBL27907613

Cc1nnnn1-c1cc(-c2ccccc2)c(F)c(C(=O)NC2CC2)c1F

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 5/20 0.44
CNR1 P21554 4/20 0.44
FAAH O00519 2/20 0.44
ABHD12 Q8N2K0 1/20 0.44
TAS1R3 Q7RTX0 4/20 0.43
TAS1R1 Q7RTX1 3/20 0.43
TAS1R2 Q8TE23 3/20 0.43
RIPK1 Q13546 1/20 0.39
ALDH1A1 P00352 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
POLB P06746 2/20 0.38
MAPK8 P45983 1/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
DPP4 P27487 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
CYP46A1 Q9Y6A2 1/20 0.38
GAA P10253 1/20 0.38

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
SCHEMBL27925722 0.85 DHODH (0.39) ALDH1A1L3MBTL1MEN1KMT2ANPC1
SCHEMBL27769338 0.81 ALDH1A1 (0.39) ALDH1A1L3MBTL1MEN1KMT2ASMN1; SMN2
SCHEMBL27769340 0.78 KCNN4 (0.37) ALDH1A1MEN1KMT2ANPC1RAB9A
SCHEMBL27748142 0.78 KCNN4 (0.36) ALDH1A1MEN1KMT2A
SCHEMBL27769319 0.76 ALDH1A1 (0.42) CNR2CNR1FAAHABHD12RIPK1
SCHEMBL27769363 0.72 P2RX3 (0.46) MAPK13
SCHEMBL4316256 0.69 P2RX3 (0.49) CNR1DPP4MAPK13
SCHEMBL27769411 0.69 KCNN4 (0.41) ALDH1A1L3MBTL1MEN1KMT2ANPC1
SCHEMBL27748146 0.69 FABP4 (0.36) RIPK1ALDH1A1DPP4
SCHEMBL27748198 0.68 LMNA (0.38) ALDH1A1L3MBTL1MEN1KMT2ASMN1; SMN2

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
CN-101479250-B Tetrazole-substituted arylamides HOFFMANN LA ROCHE 2013-05-22 CN disclosed