SCHEMBL5505545

SCHEMBL5505545

CNC(=O)C1CN(c2ccc3c(c2)CC(=O)N3C(C)C)C(=O)O1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAOA P21397 3/20 0.38
BMPR1B O00238 3/20 0.36
BMPR1A P36894 3/20 0.36
ACVRL1 P37023 3/20 0.36
ACVR1 Q04771 3/20 0.36
TGFBR1 P36897 1/20 0.36
TSHR P16473 1/20 0.35
MAPK1 P28482 1/20 0.35
MAOB P27338 3/20 0.35
LMNA P02545 1/20 0.35
PTGS1 P23219 1/20 0.35
CALML3 P27482 1/20 0.35
SDHA P31040 1/20 0.35
CYP1A2 P05177 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C19 P33261 1/20 0.34

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
SCHEMBL5505548 1.00 MAOA (0.38) MAOABMPR1BBMPR1AACVRL1ACVR1
SCHEMBL5514735 0.90 MAOA (0.36) MAOATSHRMAPK1MAOBLMNA
SCHEMBL20989998 0.89 MAOA (0.48) MAOABMPR1BBMPR1AACVRL1ACVR1
SCHEMBL5504072 0.89 MAOA (0.48) MAOABMPR1BBMPR1AACVRL1ACVR1
SCHEMBL5998454 0.88 MAOA (0.37) MAOABMPR1BBMPR1AACVRL1ACVR1
SCHEMBL20990242 0.88 LMNA (0.39) MAOATSHRLMNACYP1A2CYP2D6
SCHEMBL20990239 0.87 MAOA (0.36) MAOABMPR1BBMPR1AACVRL1ACVR1
SCHEMBL20990241 0.87 MAOA (0.38) MAOAMAOBLMNAPTGS1CALML3
SCHEMBL5999489 0.87 F10 (0.41) MAOATSHRMAPK1MAOBLMNA
SCHEMBL5508961 0.86 BMPR1B (0.38) MAOABMPR1BBMPR1AACVRL1ACVR1

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