SCHEMBL3989372

SCHEMBL3989372

CCCCOC(=O)NC(Cc1ccc(F)cc1)C(=O)N(C)C(C(=O)NC(Cc1ccc(O)c(C(C)(C)C)c1)c1nccs1)C(C)C

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PTPRB P23467 3/20 0.38
L3MBTL1 Q9Y468 2/20 0.32
ALOX12 P18054 1/20 0.32
GAA P10253 1/20 0.32
XBP1 P17861 1/20 0.32
ATM Q13315 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
AGTR2 P50052 2/20 0.30
CTSK P43235 2/20 0.30
CTSS P25774 1/20 0.30
ADRB3 P13945 1/20 0.30

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
SCHEMBL13796830 0.84 PTPRB (0.35) PTPRBALOX12ADRB3
SCHEMBL3987569 0.84 PTPRB (0.35) PTPRBALOX12ADRB3
SCHEMBL3989633 0.83 CTSK (0.37) GAACTSK
SCHEMBL3994577 0.83
SCHEMBL3994576 0.83 ROCK2 (0.30)
SCHEMBL3995019 0.78 PTPRB (0.38) PTPRBALOX12ADRB3
SCHEMBL3986370 0.76 CTSS (0.40) ATMNPSR1CTSKCTSS
SCHEMBL3989384 0.74 CTSS (0.40) CTSKCTSS
SCHEMBL13796750 0.73 PTPRB (0.36) PTPRBADRB3
SCHEMBL3988530 0.73 PTPRB (0.36) PTPRBADRB3

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7553969-B1 Substituted phenethylamine derivatives CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2009-06-30 US disclosed
EP-1149843-A1 SUBSTITUTED PHENETHYLAMINE DERIVATIVES CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2001-10-31 EP disclosed