SCHEMBL9015437

SCHEMBL9015437

CC(=O)NCC1CN(c2ccc(-c3cc(C)nc(C)c3)c(F)c2)C(=O)O1

nearest known ligand 0.74

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MAOA P21397 6/20 0.74
CALML3 P27482 5/20 0.62
MAOB P27338 2/20 0.62
PTGS1 P23219 2/20 0.62
SDHA P31040 2/20 0.62
LMNA P02545 1/20 0.62
F10 P00742 1/20 0.51

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
SCHEMBL9373124 0.92 MAOA (0.63) MAOACALML3MAOBPTGS1SDHA
SCHEMBL7949643 0.90 MAOA (0.70) MAOACALML3MAOBPTGS1SDHA
SCHEMBL6798354 0.90 MAOA (0.70) MAOACALML3MAOBPTGS1SDHA
SCHEMBL3328441 0.89 MAOA (0.76) MAOACALML3MAOBPTGS1SDHA
SCHEMBL3328443 0.89 MAOA (0.76) MAOACALML3MAOBPTGS1SDHA
SCHEMBL29308072 0.88 MAOA (0.70) MAOACALML3MAOBPTGS1SDHA
SCHEMBL17747988 0.87 MAOA (0.69) MAOACALML3MAOBPTGS1SDHA
SCHEMBL6302777 0.87 CALML3 (0.74) MAOACALML3MAOBPTGS1SDHA
SCHEMBL6302773 0.87 CALML3 (0.74) MAOACALML3MAOBPTGS1SDHA
SCHEMBL7947678 0.87 MAOA (0.61) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0610265-B1 SUBSTITUTED ARYL- AND HETEROARYLPHENYLOXAZOLIDINONES USEFUL AS ANTIBACTERIAL AGENTS UPJOHN CO (US) 1996-12-27 EP claimed
US-5565571-A BACTERICIDES THE UPJOHN COMPANY (US) 1996-10-15 US claimed
WO-1993009103-A1 SUBSTITUTED ARYL- AND HETEROARYLPHENYLOXAZOLIDINONES USEFUL AS ANTIBACTERIAL AGENTS THE UPJOHN COMPANY (US) 1993-05-13 WO disclosed