SCHEMBL4379995

SCHEMBL4379995

Cc1c(OC(=O)NCC(C)(O)C(F)(F)F)cc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)n1C[C@H]1CCCO1

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 14/20 0.39
TSHR P16473 1/20 0.37
KMT2A Q03164 1/20 0.36
GRIN1 Q05586 1/20 0.36
GRIN2B Q13224 1/20 0.36
PDK1 Q15118 1/20 0.35
PDK2 Q15119 1/20 0.35
PDK3 Q15120 1/20 0.35
PDK4 Q16654 1/20 0.35

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
SCHEMBL4380421 0.92 CNR2 (0.39) CNR2TSHRKMT2AGRIN1GRIN2B
SCHEMBL4382397 0.86 CNR2 (0.42) CNR2TSHR
SCHEMBL5614389 0.85 RORC (0.38) CNR2KMT2AGRIN1GRIN2BPDK1
SCHEMBL4375462 0.84 TSHR (0.39) CNR2TSHRKMT2AGRIN1GRIN2B
SCHEMBL4373433 0.84 ALDH1A1 (0.40) CNR2TSHRKMT2AGRIN1GRIN2B
SCHEMBL4372670 0.82 CNR1 (0.42) CNR2TSHRKMT2AGRIN1GRIN2B
SCHEMBL4373529 0.80 CNR2 (0.39) CNR2TSHRKMT2AGRIN1GRIN2B
SCHEMBL4371354 0.80 CNR2 (0.44) CNR2TSHR
SCHEMBL4374299 0.79 CNR2 (0.42) CNR2TSHR
SCHEMBL4376908 0.77 CNR2 (0.39) CNR2TSHRKMT2AGRIN1GRIN2B

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
EP-1749002-B1 PYRROLE OR IMIDAZOLE AMIDES FOR TREATING OBESITY HOFFMANN LA ROCHE (CH) 2009-05-27 EP claimed