SCHEMBL7955697

SCHEMBL7955697

O=C(CS)NCC1CN(c2cc(F)c(N3CCOCC3)c(F)c2)C(=O)O1

nearest known ligand 0.61

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MAOA P21397 5/20 0.61
MAOB P27338 10/20 0.60
PTGS1 P23219 2/20 0.60
SDHA P31040 2/20 0.60
LMNA P02545 1/20 0.60
CALML3 P27482 1/20 0.60
F10 P00742 7/20 0.53

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
SCHEMBL7156352 0.89 MAOA (0.60) MAOAMAOBPTGS1SDHALMNA
SCHEMBL8308401 0.88 MAOA (0.76) MAOAMAOBPTGS1SDHALMNA
SCHEMBL8308403 0.88 MAOA (0.76) MAOAMAOBPTGS1SDHALMNA
SCHEMBL27552994 0.87 MAOB (0.79) MAOAMAOBPTGS1SDHALMNA
SCHEMBL6162190 0.86 F10 (0.55) MAOAMAOBPTGS1SDHALMNA
SCHEMBL18408933 0.86 MAOB (0.62) MAOAMAOBPTGS1SDHALMNA
SCHEMBL18408943 0.86 MAOB (0.77) MAOAMAOBPTGS1SDHALMNA
SCHEMBL7955695 0.84 MAOB (0.66) MAOAMAOBPTGS1SDHALMNA
SCHEMBL7955698 0.84 MAOB (0.66) MAOAMAOBPTGS1SDHALMNA
SCHEMBL18410481 0.84 MAOB (0.72) 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-6255304-B1 AIDS THERAPY PHARMACIA & UPJOHN COMPANY 2001-07-03 US claimed