SCHEMBL7832441

SCHEMBL7832441

CCOC(=O)CC(NC(=O)CNC(=O)c1cccc(NC(=O)NCc2ccccc2)c1)c1cc(Cl)cc(Cl)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 2/20 0.46
MAPT P10636 2/20 0.45
THRB P10828 1/20 0.45
GPR139 Q6DWJ6 4/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
ATM Q13315 1/20 0.44
ITGB3 P05106 2/20 0.42
ITGAV P06756 2/20 0.42
LMNA P02545 1/20 0.42
MAPK1 P28482 1/20 0.42
PPID Q08752 1/20 0.42
ITGB1 P05556 1/20 0.42
ITGA5 P08648 1/20 0.42
ITGB5 P18084 1/20 0.42
ITGB6 P18564 1/20 0.42
ITGB8 P26012 1/20 0.42
ITGA8 P53708 1/20 0.42
ALDH1A1 P00352 2/20 0.41
HPGD P15428 1/20 0.41

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
SCHEMBL7824024 0.94 GPR139 (0.49) NAMPTMAPTTHRBGPR139MEN1
SCHEMBL7833918 0.93 NAMPT (0.56) NAMPTKMT2AITGB3ITGAVITGB1
SCHEMBL6773780 0.93 NAMPT (0.49) NAMPTMAPTTHRBGPR139ITGB3
SCHEMBL6778847 0.89 ITGB3 (0.53) GPR139MEN1KMT2AATMITGB3
SCHEMBL6779485 0.87 NAMPT (0.50) NAMPTMAPTTHRBKMT2AITGB3
SCHEMBL7340505 0.86 NAMPT (0.46) NAMPTMAPTMEN1KMT2AITGB3
SCHEMBL7366148 0.85 TSHR (0.41) NAMPTMAPTGPR139KMT2AITGB3
SCHEMBL7339953 0.85 NAMPT (0.46) NAMPTMAPTTHRBGPR139MEN1
SCHEMBL6778762 0.85 ITGB3 (0.51) NAMPTMAPTMEN1KMT2AITGB3
SCHEMBL7832444 0.84 NAMPT (0.48) NAMPTMAPTTHRBGPR139MEN1

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-0850221-B1 META-GUANIDINE, UREA, THIOUREA OR AZACYCLIC AMINO BENZOIC ACID DERIVATIVES AS INTEGRIN ANTAGONISTS SEARLE & CO (US) 2001-07-18 EP claimed