SCHEMBL2409335

SCHEMBL2409335

CN(Cc1cn(-c2cccnc2F)cc1F)C(=O)OC(C)(C)C

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 8/20 0.39
SLC6A4 P31645 8/20 0.39
HTR2A P28223 1/20 0.39
RIPK1 Q13546 2/20 0.36
SSTR4 P31391 1/20 0.35
CACNA1G O43497 1/20 0.33
CACNA1B Q00975 1/20 0.33
CACNA1C Q13936 1/20 0.33
GLS O94925 1/20 0.33
TACR1 P25103 1/20 0.32
PDK2 Q15119 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
ATM Q13315 1/20 0.32

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
SCHEMBL2411007 0.91 HTR2C (0.38) HTR2CSLC6A4HTR2ARIPK1SSTR4
SCHEMBL29865792 0.74 POLB (0.44) HTR2CSLC6A4HTR2ASSTR4CACNA1G
SCHEMBL1830977 0.72 SSTR4 (0.38) HTR2CSLC6A4HTR2ARIPK1SSTR4
SCHEMBL20794554 0.71 HTR2C (0.43) HTR2CSLC6A4HTR2ASSTR4CACNA1G
SCHEMBL8017533 0.71 HTR2C (0.47) HTR2CSLC6A4RIPK1CACNA1GCACNA1B
SCHEMBL24716134 0.70 MAOA (0.54) KMT2A
SCHEMBL30626630 0.70 MAOA (0.54) KMT2A
SCHEMBL2414689 0.70 RIPK1 (0.35) HTR2CSLC6A4HTR2ARIPK1SSTR4
SCHEMBL1834426 0.69 HTR2C (0.33) HTR2CSLC6A4HTR2ARIPK1SSTR4
SCHEMBL3700738 0.69 HTR2C (0.44) HTR2CSLC6A4HTR2A

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-2364979-A1 Pyrrole compounds Takeda Pharmaceutical Company Limited (JP) 2011-09-14 EP disclosed