SCHEMBL1433133

SCHEMBL1433133

CN1CCCC1C(=O)N[C@@H](Cc1ccccc1F)C(=O)NCc1ccc(N)nc1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ TACR1 P25103 2/20 0.43
▸ MASP2 O00187 3/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ PPIB P23284 1/20 0.40
▸ DPP4 P27487 2/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ XIAP P98170 1/20 0.38
▸ NTMT1 Q9BV86 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ HPGD P15428 1/20 0.38
▸ TDP1 Q9NUW8 1/20 0.37
▸ ATM Q13315 1/20 0.37

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
SCHEMBL1432208 0.90 TACR1 (0.44) TACR1MASP2KMT2AMEN1PPIB
SCHEMBL1431988 0.90 TACR1 (0.44) TACR1MASP2
SCHEMBL1432725 0.90 TACR1 (0.46) TACR1MASP2XIAP
SCHEMBL1433336 0.89 TACR1 (0.46) TACR1MASP2PPIBNTMT1
SCHEMBL1431638 0.88 DPP4 (0.40) MASP2KMT2AMEN1PPIBDPP4
SCHEMBL1432180 0.88 DPP4 (0.40) MASP2KMT2AMEN1PPIBDPP4
SCHEMBL1431814 0.88 MEN1 (0.48) TACR1MASP2KMT2AMEN1PPIB
SCHEMBL1432532 0.88 MEN1 (0.48) TACR1MASP2KMT2AMEN1PPIB
Hydrochloric Acid SCHEMBL1432515 0.88 DPP4 (0.40) MASP2KMT2AMEN1PPIBDPP4
SCHEMBL1431888 0.87 MASP2 (0.40) TACR1MASP2KMT2AMEN1PPIB

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-2300428-A1 AMINOPYRIDINE DERIVATIVES Vantia Limited (GB) 2011-03-30 — — EP disclosed
Send feedback