SCHEMBL6791173

SCHEMBL6791173

CC(=O)NC[C@H]1CN(c2ccc(-c3ccc(-n4[nH]cnc4=O)nc3)c(F)c2)C(=O)O1

nearest known ligand 0.64

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAOA P21397 8/20 0.59
CALML3 P27482 5/20 0.53
MAOB P27338 3/20 0.53
LMNA P02545 1/20 0.53
PTGS1 P23219 1/20 0.53
SDHA P31040 1/20 0.53
CYP3A4 P08684 1/20 0.49
CYP2C19 P33261 1/20 0.49

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
SCHEMBL6792072 0.87 MAOA (0.62) MAOACALML3MAOBLMNAPTGS1
SCHEMBL3197840 0.86 MAOA (0.60) MAOACALML3MAOBLMNAPTGS1
SCHEMBL14436451 0.86 MAOA (0.60) MAOACALML3MAOBLMNAPTGS1
SCHEMBL1383021 0.86 MAOA (0.61) MAOACALML3MAOBLMNAPTGS1
SCHEMBL6797249 0.85 MAOA (0.59) MAOACALML3MAOBLMNAPTGS1
Hydrochloric Acid SCHEMBL6799766 0.85 MAOA (0.59) MAOACALML3MAOBLMNAPTGS1
SCHEMBL6793136 0.85 MAOA (0.69) MAOACALML3MAOBLMNAPTGS1
SCHEMBL4171562 0.85 MAOA (0.61) MAOACALML3MAOBLMNAPTGS1
SCHEMBL4171585 0.85 MAOA (0.61) MAOACALML3MAOBLMNAPTGS1
SCHEMBL6799017 0.85 MAOA (0.58) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6689779-B2 PYRIDINE OR PYRIMIDINE SUBSTITUTED; ANTIBACTERIAL ACTIVITY; LOW TOXICITY DONG A PHARM. CO., LTD. (KR) 2004-02-10 US disclosed