SCHEMBL7654014

SCHEMBL7654014

CC(=O)NCC1CN(c2ccc(C#Cc3cncc(C#N)c3)c(F)c2)C(=O)O1

nearest known ligand 0.55

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAOA P21397 5/20 0.55
MAOB P27338 3/20 0.55
PTGS1 P23219 2/20 0.55
SDHA P31040 2/20 0.55
CALML3 P27482 2/20 0.55
LMNA P02545 1/20 0.55
F10 P00742 2/20 0.44
ABCB11 O95342 1/20 0.42

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
SCHEMBL7539861 1.00 MAOA (0.55) MAOAMAOBPTGS1SDHACALML3
SCHEMBL7545733 0.90 MAOA (0.58) MAOAMAOBPTGS1SDHACALML3
SCHEMBL6797071 0.86 MAOA (0.66) MAOAMAOBPTGS1SDHACALML3
SCHEMBL7547274 0.85 MAOA (0.57) MAOAMAOBPTGS1SDHACALML3
SCHEMBL7545047 0.84 MAOA (0.60) MAOAMAOBPTGS1SDHACALML3
SCHEMBL7608522 0.83 MAOA (0.53) MAOAMAOBPTGS1SDHACALML3
SCHEMBL7608500 0.83 MAOA (0.53) MAOAMAOBPTGS1SDHACALML3
SCHEMBL7539446 0.83 MAOA (0.58) MAOAMAOBPTGS1SDHACALML3
SCHEMBL7606959 0.82 MAOA (0.52) MAOAMAOBPTGS1SDHACALML3
SCHEMBL7608700 0.82 MAOA (0.52) MAOAMAOBPTGS1SDHACALML3

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-6410728-B1 BACTERICIDES; PSORIASIS; ANTIARTHRITIC AGENTS; TREATING TOXICITY DUE TO CHEMOTHERAPY; OBESITY; ANTIBIOTIC-RESISTANT STAPHYLOCOCCUS, MORAXELLA, ENTEROCOCCUS AND STREPTOCOCCUS; GRAMPOSITIVE BACTERIA ABBOTT LABORATORIES 2002-06-25 US disclosed