SCHEMBL4375462

SCHEMBL4375462

Cc1c(OC(=O)NC2[C@H]3CCCC[C@@H]23)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 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.39
CNR2 P34972 8/20 0.38
KMT2A Q03164 3/20 0.38
GRIN1 Q05586 2/20 0.37
GRIN2B Q13224 2/20 0.37
MAPT P10636 1/20 0.35
ALDH1A1 P00352 3/20 0.35
GAA P10253 3/20 0.35
MEN1 O00255 2/20 0.35
KDM4E B2RXH2 2/20 0.35
GLA P06280 2/20 0.35
HPGD P15428 2/20 0.35
CYP2C19 P33261 1/20 0.35
RECQL P46063 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
HTT P42858 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
SCHEMBL4373433 0.91 ALDH1A1 (0.40) TSHRCNR2KMT2AGRIN1GRIN2B
SCHEMBL4372670 0.89 CNR1 (0.42) TSHRCNR2KMT2AGRIN1GRIN2B
SCHEMBL4376045 0.86 TSHR (0.42) TSHRCNR2KMT2AALDH1A1GAA
SCHEMBL4379995 0.84 CNR2 (0.39) TSHRCNR2KMT2AGRIN1GRIN2B
SCHEMBL4380421 0.84 CNR2 (0.39) TSHRCNR2KMT2AGRIN1GRIN2B
SCHEMBL4373529 0.82 CNR2 (0.39) TSHRCNR2KMT2AGRIN1GRIN2B
SCHEMBL4383359 0.78 RORC (0.46) TSHRCNR2KMT2AMAPTALDH1A1
SCHEMBL4368598 0.77 CNR2 (0.42) TSHRCNR2
SCHEMBL4374742 0.77 TSHR (0.42) TSHRCNR2ALDH1A1GAAKDM4E
SCHEMBL4380542 0.77 KMT2A (0.44) TSHRKMT2AGRIN1GRIN2BMAPT

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