SCHEMBL4373529

SCHEMBL4373529

Cc1c(OC(=O)NC(C)C(O)C2CC2)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 5)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 16/20 0.39
TSHR P16473 1/20 0.36
GRIN1 Q05586 1/20 0.35
GRIN2B Q13224 1/20 0.35
KMT2A Q03164 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
SCHEMBL4374633 0.87 CNR2 (0.41) CNR2TSHR
SCHEMBL5615306 0.86 CNR2 (0.37) CNR2GRIN1GRIN2BKMT2A
SCHEMBL4373433 0.82 ALDH1A1 (0.40) CNR2TSHRGRIN1GRIN2BKMT2A
SCHEMBL4375462 0.82 TSHR (0.39) CNR2TSHRGRIN1GRIN2BKMT2A
SCHEMBL4372670 0.80 CNR1 (0.42) CNR2TSHRGRIN1GRIN2BKMT2A
SCHEMBL4379995 0.80 CNR2 (0.39) CNR2TSHRGRIN1GRIN2BKMT2A
SCHEMBL4380421 0.80 CNR2 (0.39) CNR2TSHRGRIN1GRIN2BKMT2A
SCHEMBL4370570 0.78 CNR2 (0.40) CNR2TSHRKMT2A
SCHEMBL4380542 0.74 KMT2A (0.44) TSHRGRIN1GRIN2BKMT2A
SCHEMBL4371429 0.74 KMT2A (0.44) TSHRGRIN1GRIN2BKMT2A

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