SCHEMBL9800437

SCHEMBL9800437

CC(=O)NCC1CN(c2ccc3c(c2)NCC3)C(=O)O1

nearest known ligand 0.56

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAOA P21397 5/20 0.56
MAOB P27338 2/20 0.56
PTGS1 P23219 2/20 0.56
SDHA P31040 2/20 0.56
LMNA P02545 1/20 0.56
CALML3 P27482 1/20 0.56
F10 P00742 5/20 0.47
ABCB11 O95342 1/20 0.45

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
SCHEMBL9831990 1.00 MAOA (0.56) MAOAMAOBPTGS1SDHALMNA
SCHEMBL6212217 0.93 MAOA (0.53) MAOAMAOBPTGS1SDHALMNA
SCHEMBL6212220 0.93 MAOA (0.53) MAOAMAOBPTGS1SDHALMNA
SCHEMBL9175963 0.92 MAOA (0.56) MAOAMAOBPTGS1SDHALMNA
SCHEMBL5141633 0.86 MAOA (0.56) MAOAMAOBPTGS1SDHALMNA
SCHEMBL6208847 0.86 MAOA (0.56) MAOAMAOBPTGS1SDHALMNA
SCHEMBL6240071 0.86 MAOA (0.52) MAOAMAOBPTGS1SDHALMNA
SCHEMBL6240078 0.86 MAOA (0.52) MAOAMAOBPTGS1SDHALMNA
SCHEMBL6364832 0.86 MAOA (0.54) MAOAMAOBPTGS1SDHALMNA
SCHEMBL6364834 0.86 MAOA (0.54) MAOAMAOBPTGS1SDHALMNA

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-5036093-A Effective against grampositive bacteria including some antibiotic resistant strains DU PONT MERCK PHARMACEUTICAL (US) 1991-07-30 US disclosed
US-5036092-A Effective against antibiotic resistant streptococci and staphylococci DU PONT MERCK PHARMACEUTICAL (US) 1991-07-30 US disclosed