SCHEMBL3638306

SCHEMBL3638306

CO[C@H](C)CN(C(=O)C(F)(F)F)c1cc(F)ccc1C(=O)OC(C)(C)C

nearest known ligand 0.33

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RXRA P19793 4/20 0.32
NR1H2 P55055 4/20 0.32
NR1H3 Q13133 3/20 0.32
FPR2 P25090 1/20 0.32
SCN9A Q15858 1/20 0.32
GABRA1 P14867 1/20 0.32
GABRG2 P18507 1/20 0.32
GABRB3 P28472 1/20 0.32
GABRA5 P31644 1/20 0.32
GABRA3 P34903 1/20 0.32
GABRA2 P47869 1/20 0.32
GABRA4 P48169 1/20 0.32
GABRA6 Q16445 1/20 0.32
RIPK1 Q13546 2/20 0.31
ALDH1A1 P00352 1/20 0.30
NR3C2 P08235 1/20 0.30

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
SCHEMBL3645055 1.00 RXRA (0.32) RXRANR1H2NR1H3FPR2SCN9A
SCHEMBL590953 0.82 NR3C2 (0.38) RXRANR1H2NR1H3GABRA1GABRG2
SCHEMBL1336527 0.82 GABRA1 (0.34) RXRANR1H2NR1H3FPR2SCN9A
SCHEMBL3644458 0.81 HTR6 (0.36) NR1H2NR1H3GABRA1GABRG2GABRB3
SCHEMBL3644277 0.81 HTR6 (0.36) NR1H2NR1H3GABRA1GABRG2GABRB3
SCHEMBL1335511 0.80 NR3C2 (0.37) RXRANR1H2NR1H3GABRA1GABRG2
SCHEMBL3510636 0.80 GABRA1 (0.33) RXRANR1H2NR1H3GABRA1GABRG2
SCHEMBL590544 0.78 NR3C2 (0.33) RXRANR1H2NR1H3FPR2SCN9A
SCHEMBL590837 0.78 NR3C2 (0.33) RXRANR1H2NR1H3FPR2SCN9A
SCHEMBL1336458 0.76 GABRA1 (0.34) RXRANR1H2NR1H3FPR2SCN9A

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2176231-A1 SUBSTITUTED INDAZOLE DERIVATIVES ACTIVE AS KINASE INHIBITORS Nerviano Medical Sciences S.r.l. (IT) 2010-04-21 EP disclosed
EP-2120932-A1 INDAZOLE DERIVATIVES AS KINASE INHIBITORS FOR THE TREATMENT OF CANCER Nerviano Medical Sciences S.r.l. (IT) 2009-11-25 EP disclosed
WO-2008074749-A9 INDAZOLE DERIVATIVES AS KINASE INHIBITORS FOR THE TREATMENT OF CANCER NERVIANO MEDICAL SCIENCES SRL (IT) 2009-05-07 WO disclosed
WO-2009013126-A1 SUBSTITUTED INDAZOLE DERIVATIVES ACTIVE AS KINASE INHIBITORS NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2009-01-29 WO disclosed
EP-1968976-A1 SUBSTITUTED PYRAZOLO [4,3-C] PYRIDINE DERIVATIVES ACTIVE AS KINASE INHIBITORS NERVIANO MEDICAL SCIENCES S.r.l. (IT) 2008-09-17 EP disclosed
WO-2008074749-A1 INDAZOLE DERIVATIVES AS KINASE INHIBITORS FOR THE TREATMENT OF CANCER NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2008-06-26 WO disclosed
WO-2007068619-A1 SUBSTITUTED PYRAZOLO [4,3-C] PYRIDINE DERIVATIVES ACTIVE AS KINASE INHIBITORS NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2007-06-21 WO disclosed