SCHEMBL7910672

SCHEMBL7910672

CC(=O)NC[C@H]1CN(c2ccc(-n3cnc(C=Cc4ccncc4)c3)c(F)c2)C(=O)O1

nearest known ligand 0.59

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MAOA P21397 6/20 0.57
MAOB P27338 5/20 0.57
PTGS1 P23219 2/20 0.57
SDHA P31040 2/20 0.57
LMNA P02545 1/20 0.57
CALML3 P27482 1/20 0.57
F10 P00742 3/20 0.45

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
SCHEMBL7905538 1.00 MAOA (0.57) MAOAMAOBPTGS1SDHALMNA
SCHEMBL7897867 0.90 MAOA (0.55) MAOAMAOBPTGS1SDHALMNA
SCHEMBL7905511 0.90 MAOA (0.58) MAOAMAOBPTGS1SDHALMNA
SCHEMBL7906579 0.90 MAOA (0.58) MAOAMAOBPTGS1SDHALMNA
SCHEMBL7906455 0.89 MAOA (0.61) MAOAMAOBPTGS1SDHALMNA
SCHEMBL7905638 0.89 MAOA (0.61) MAOAMAOBPTGS1SDHALMNA
SCHEMBL7897861 0.89 MAOA (0.61) MAOAMAOBPTGS1SDHALMNA
SCHEMBL7905572 0.89 MAOA (0.61) MAOAMAOBPTGS1SDHALMNA
SCHEMBL7897864 0.89 MAOA (0.61) MAOAMAOBPTGS1SDHALMNA
SCHEMBL7905193 0.89 MAOA (0.61) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6194441-B1 GRAMNEGATIVE AND GRAMPOSITIVE BACTERIA ZENECA LTD. (GB) 2001-02-27 US disclosed