Sugi Predict

Sugi Predict / Compounds / SCHEMBL7250229

SCHEMBL7250229

SCHEMBL7250229

CC(=O)NCC1CN(c2ccc(C3=CCN4C(=O)N(c5ccccc5)C(=O)C4C3)cc2)C(=O)O1

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ MAOA P21397 5/20 0.45
▸ MAOB P27338 2/20 0.45
▸ LMNA P02545 1/20 0.45
▸ PTGS1 P23219 1/20 0.45
▸ CALML3 P27482 1/20 0.45
▸ SDHA P31040 1/20 0.45
▸ F10 P00742 6/20 0.44
▸ ABCB11 O95342 1/20 0.41
▸ CMA1 P23946 1/20 0.39

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
SCHEMBL7159294 1.00 MAOA (0.45) MAOAMAOBLMNAPTGS1CALML3
SCHEMBL7252536 0.86 MAOA (0.46) MAOAMAOBLMNAPTGS1CALML3
SCHEMBL7157367 0.86 MAOA (0.46) MAOAMAOBLMNAPTGS1CALML3
SCHEMBL7247707 0.80 MAOA (0.47) MAOAMAOBLMNAPTGS1CALML3
SCHEMBL7157494 0.80 MAOA (0.47) MAOAMAOBLMNAPTGS1CALML3
SCHEMBL7126123 0.79 MAOA (0.49) MAOAMAOBLMNAPTGS1CALML3
SCHEMBL7253224 0.79 MAOA (0.49) MAOAMAOBLMNAPTGS1CALML3
SCHEMBL9550276 0.79 MAOA (0.57) MAOAMAOBLMNAPTGS1CALML3
SCHEMBL9550299 0.79 MAOA (0.57) MAOAMAOBLMNAPTGS1CALML3
SCHEMBL6097066 0.79 F10 (0.64) MAOAMAOBLMNAPTGS1CALML3

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
US-6605630-B1 Active against drug resistant gram positive pathogens SYNGENTA LIMITED (GB) 2003-08-12 — — US disclosed