SCHEMBL4349090

SCHEMBL4349090

CC(C)(C)N(C[C@H](N)Cc1cccc(C(F)(F)F)c1)C(=O)O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 3/20 0.55
HTR2B P41595 3/20 0.55
HTR2C P28335 2/20 0.55
DPP4 P27487 3/20 0.47
DPP7 Q9UHL4 2/20 0.47
EPHX1 P07099 6/20 0.46
ADRA2C P18825 2/20 0.43
SLC6A4 P31645 2/20 0.43
ADRA1A P35348 2/20 0.43
DRD3 P35462 2/20 0.43
USP2 O75604 2/20 0.43
CYP3A4 P08684 2/20 0.43
NR1I2 O75469 1/20 0.43
ADRB1 P08588 1/20 0.43
HTR1A P08908 1/20 0.43
ADRA2A P08913 1/20 0.43
ADORA3 P0DMS8 1/20 0.43
ADRA2B P18089 1/20 0.43
CHRM3 P20309 1/20 0.43
SLC6A2 P23975 1/20 0.43

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
SCHEMBL4349086 1.00 HTR2A (0.55) HTR2AHTR2BHTR2CDPP4DPP7
SCHEMBL4352828 0.85 SLC1A1 (0.51) DPP4DPP7DPP8DPP9PPARG
SCHEMBL4352830 0.85 SLC1A1 (0.51) DPP4DPP7DPP8DPP9PPARG
SCHEMBL4349071 0.84 MEN1 (0.41) LMNAMEN1KMT2A
SCHEMBL4349075 0.84 MEN1 (0.41) LMNAMEN1KMT2A
SCHEMBL1527219 0.83 EPHX1 (0.48) EPHX1LMNAOPRK1MEN1KMT2A
SCHEMBL14860145 0.83 EPHX1 (0.48) EPHX1LMNAOPRK1MEN1KMT2A
SCHEMBL14860143 0.83 EPHX1 (0.48) EPHX1LMNAOPRK1MEN1KMT2A
SCHEMBL4345868 0.82 PNMT (0.50) DPP4MEN1KMT2A
SCHEMBL4345865 0.82 PNMT (0.50) DPP4MEN1KMT2A

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-2070928-A1 7-azaindol-3-ylacrylamides active as kinase inhibitors NERVIANO MEDICAL SCIENCES S.r.l. (IT) 2009-06-17 EP disclosed