SCHEMBL1908359

SCHEMBL1908359

CN1CCC[C@@H]1C(=O)N[C@@H](Cc1ccccc1F)C(=O)NCc1cnc(N)s1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 2/20 0.41
LMNA P02545 2/20 0.40
DPP4 P27487 4/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
KMT2A Q03164 3/20 0.38
HPGD P15428 1/20 0.38
MEN1 O00255 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
ATM Q13315 1/20 0.37
XIAP P98170 1/20 0.36
POLB P06746 1/20 0.36
SCN9A Q15858 1/20 0.36
SCN10A Q9Y5Y9 1/20 0.36

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
SCHEMBL1903923 1.00 TACR1 (0.41) TACR1LMNADPP4L3MBTL1KMT2A
SCHEMBL1902611 0.91 TACR1 (0.41) TACR1DPP4KMT2AMEN1
SCHEMBL1904935 0.91 TACR1 (0.41) TACR1DPP4KMT2AMEN1
SCHEMBL1905233 0.89 NTMT1 (0.44) TACR1DPP4
SCHEMBL1906955 0.89 NTMT1 (0.44) TACR1DPP4
SCHEMBL1902249 0.87 MEN1 (0.39) TACR1LMNADPP4KMT2AMEN1
SCHEMBL1904624 0.87 MEN1 (0.39) TACR1LMNADPP4KMT2AMEN1
SCHEMBL1905042 0.87 MEN1 (0.39) TACR1LMNADPP4KMT2AMEN1
SCHEMBL1907660 0.87 MEN1 (0.47) TACR1KMT2AMEN1POLB
SCHEMBL1903784 0.87 MEN1 (0.47) TACR1KMT2AMEN1POLB

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
WO-2011051673-A1 AMINOTHIAZOLE DERIVATIVES USEFUL AS KLK1 INHIBITORS VANTIA LIMITED (GB) 2011-05-05 WO claimed