SCHEMBL6980778

SCHEMBL6980778

CC(=O)NCC1CN(c2ccc(N3CCN(c4cccnn4)CC3)c(F)c2)C(=O)O1

nearest known ligand 0.70

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MAOA P21397 5/20 0.70
MAOB P27338 5/20 0.70
PTGS1 P23219 2/20 0.70
SDHA P31040 2/20 0.70
LMNA P02545 1/20 0.70
CALML3 P27482 1/20 0.70
F10 P00742 8/20 0.57

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
SCHEMBL6979714 1.00 MAOA (0.70) MAOAMAOBPTGS1SDHALMNA
SCHEMBL8575816 0.89 MAOA (0.71) MAOAMAOBPTGS1SDHALMNA
SCHEMBL8575809 0.89 MAOA (0.71) MAOAMAOBPTGS1SDHALMNA
SCHEMBL8578671 0.87 MAOA (0.71) MAOAMAOBPTGS1SDHALMNA
SCHEMBL8578679 0.87 MAOA (0.71) MAOAMAOBPTGS1SDHALMNA
SCHEMBL8578539 0.86 MAOA (0.70) MAOAMAOBPTGS1SDHALMNA
SCHEMBL8308534 0.86 MAOA (0.70) MAOAMAOBPTGS1SDHALMNA
SCHEMBL8311659 0.86 MAOA (0.70) MAOAMAOBPTGS1SDHALMNA
SCHEMBL8575489 0.86 MAOA (0.70) MAOAMAOBPTGS1SDHALMNA
SCHEMBL6984842 0.86 MAOB (0.75) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0868424-B1 4-PYRIMIDINYL- OR 4-PYRAZINYL-PIPERAZINYL-PHENYL-OXAZOLIDINONE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS ANTI-BACTERIAL AGENTS UPJOHN CO (US) 2003-02-12 EP claimed
EP-0868424-B1 4-PYRIMIDINYL- OR 4-PYRAZINYL-PIPERAZINYL-PHENYL-OXAZOLIDINONE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS ANTI-BACTERIAL AGENTS UPJOHN CO (US) 2003-02-12 EP disclosed