SCHEMBL5506786

SCHEMBL5506786

CN1C(=O)Cc2cc(N3C[C@H](C(=O)O)OC3=O)cc(F)c21

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAOA P21397 7/20 0.50
TSHR P16473 1/20 0.35
CALML3 P27482 4/20 0.33
MAOB P27338 4/20 0.33
LMNA P02545 1/20 0.33
PTGS1 P23219 1/20 0.33
SDHA P31040 1/20 0.33
BMPR1B O00238 1/20 0.33
BMPR1A P36894 1/20 0.33
TGFBR1 P36897 1/20 0.33
ACVRL1 P37023 1/20 0.33
ACVR1 Q04771 1/20 0.33
RECQL P46063 1/20 0.32
HTR6 P50406 1/20 0.31
FADS1 O60427 1/20 0.31
F10 P00742 1/20 0.31

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
SCHEMBL5504384 0.91 MAOA (0.61) MAOACALML3MAOBLMNAPTGS1
SCHEMBL5999012 0.88 MAOA (0.50) MAOACALML3MAOBLMNAPTGS1
SCHEMBL3035482 0.82 MAOA (0.59) MAOACALML3MAOBLMNAPTGS1
SCHEMBL3039436 0.79 MAOA (0.46) MAOACALML3MAOBLMNAPTGS1
SCHEMBL3041174 0.79 MAOA (0.48) MAOACALML3MAOBLMNAPTGS1
SCHEMBL3046132 0.79 MAOA (0.48) MAOACALML3MAOBLMNAPTGS1
SCHEMBL5004965 0.79 F10 (0.45) MAOACALML3MAOBLMNAPTGS1
SCHEMBL14029041 0.79 F10 (0.45) MAOACALML3MAOBLMNAPTGS1
SCHEMBL5004964 0.79 F10 (0.45) MAOACALML3MAOBLMNAPTGS1
SCHEMBL5107623 0.78 MAOA (0.57) MAOACALML3MAOBLMNAPTGS1

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
EP-1781642-A1 OXAZOLIDINONES CONTAINING OXINDOLES AS ANTIBACTERIAL AGENTS Pharmacia & Upjohn Company LLC (US) 2007-05-09 EP disclosed
WO-2006016221-A1 OXAZOLIDINONES CONTAINING OXINDOLES AS ANTIBACTERIAL AGENTS PHARMACIA & UPJOHN COMPANY LLC (US) 2006-02-16 WO disclosed