SCHEMBL7945892

SCHEMBL7945892

CC(=O)NCC1CN(c2ccc(-c3ccncc3)c(C(F)(F)F)c2)C(=O)O1

nearest known ligand 0.60

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAOA P21397 5/20 0.56
CALML3 P27482 3/20 0.56
MAOB P27338 2/20 0.53
PTGS1 P23219 2/20 0.53
SDHA P31040 2/20 0.53
LMNA P02545 1/20 0.53
CMA1 P23946 1/20 0.46
F10 P00742 3/20 0.46

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
SCHEMBL7938083 0.91 MAOA (0.56) MAOACALML3MAOBPTGS1SDHA
SCHEMBL7944591 0.90 MAOA (0.54) MAOACALML3MAOBPTGS1SDHA
SCHEMBL7945900 0.89 MAOA (0.50) MAOACALML3MAOBPTGS1SDHA
SCHEMBL6302777 0.88 CALML3 (0.74) MAOACALML3MAOBPTGS1SDHA
SCHEMBL6302773 0.88 CALML3 (0.74) MAOACALML3MAOBPTGS1SDHA
SCHEMBL7947019 0.86 MAOA (0.57) MAOACALML3MAOBPTGS1SDHA
SCHEMBL7947020 0.85 MAOA (0.56) MAOACALML3MAOBPTGS1SDHA
SCHEMBL8489161 0.83 MAOA (0.55) MAOACALML3MAOBPTGS1SDHA
SCHEMBL8489164 0.83 MAOA (0.55) MAOACALML3MAOBPTGS1SDHA
SCHEMBL9368026 0.80 MAOA (0.47) MAOACALML3MAOBPTGS1SDHA

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-3176626-B2 2001-06-18 JP claimed
US-5565571-A BACTERICIDES THE UPJOHN COMPANY (US) 1996-10-15 US claimed
EP-0610265-A1 SUBSTITUTED ARYL- AND HETEROARYLPHENYLOXAZOLIDINONES USEFUL AS ANTIBACTERIAL AGENTS. UPJOHN CO (US) 1994-08-17 EP claimed
WO-1993009103-A1 SUBSTITUTED ARYL- AND HETEROARYLPHENYLOXAZOLIDINONES USEFUL AS ANTIBACTERIAL AGENTS THE UPJOHN COMPANY (US) 1993-05-13 WO claimed
EP-0610265-A1 SUBSTITUTED ARYL- AND HETEROARYLPHENYLOXAZOLIDINONES USEFUL AS ANTIBACTERIAL AGENTS. UPJOHN CO (US) 1994-08-17 EP disclosed
WO-1993009103-A1 SUBSTITUTED ARYL- AND HETEROARYLPHENYLOXAZOLIDINONES USEFUL AS ANTIBACTERIAL AGENTS THE UPJOHN COMPANY (US) 1993-05-13 WO disclosed