SCHEMBL15827768

SCHEMBL15827768

CC(=O)NC[C@H]1CN(c2cc(F)c(N3CCON(C(=O)O)CC3)c(F)c2)C(=O)O1

nearest known ligand 0.61

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MAOA P21397 7/20 0.61
MAOB P27338 6/20 0.61
PTGS1 P23219 2/20 0.61
SDHA P31040 2/20 0.61
LMNA P02545 1/20 0.61
CALML3 P27482 1/20 0.61
F10 P00742 1/20 0.44

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
SCHEMBL10152419 0.94 MAOA (0.61) MAOAMAOBPTGS1SDHALMNA
SCHEMBL10152540 0.93 MAOA (0.59) MAOAMAOBPTGS1SDHALMNA
SCHEMBL10152452 0.93 MAOA (0.59) MAOAMAOBPTGS1SDHALMNA
SCHEMBL10152545 0.92 MAOA (0.58) MAOAMAOBPTGS1SDHALMNA
SCHEMBL10152586 0.92 MAOA (0.58) MAOAMAOBPTGS1SDHALMNA
SCHEMBL10152693 0.92 MAOA (0.58) MAOAMAOBPTGS1SDHALMNA
SCHEMBL10152421 0.92 MAOA (0.58) MAOAMAOBPTGS1SDHALMNA
SCHEMBL10152919 0.92 MAOA (0.58) MAOAMAOBPTGS1SDHALMNA
SCHEMBL10152426 0.91 MAOA (0.58) MAOAMAOBPTGS1SDHALMNA
SCHEMBL10152450 0.91 MAOA (0.56) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2009012-B1 NOVEL COMPOUND HAVING HETEROCYCLIC RING RES FOUND ITSUU LAB (JP) 2014-06-25 EP disclosed