SCHEMBL7709980

SCHEMBL7709980

CC(=S)NCC1CN(c2cc(F)c(N3CCN(C(=O)CC#N)CC3)c(F)c2)C(=O)O1

nearest known ligand 0.49

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MAOA P21397 7/20 0.49
MAOB P27338 6/20 0.49
PTGS1 P23219 2/20 0.49
SDHA P31040 2/20 0.49
LMNA P02545 1/20 0.49
CALML3 P27482 1/20 0.49
F10 P00742 5/20 0.47

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
SCHEMBL7709976 1.00 MAOA (0.49) MAOAMAOBPTGS1SDHALMNA
SCHEMBL7710070 0.91 F10 (0.46) MAOAMAOBPTGS1SDHALMNA
SCHEMBL7709903 0.91 F10 (0.46) MAOAMAOBPTGS1SDHALMNA
SCHEMBL7710065 0.91 F10 (0.46) MAOAMAOBPTGS1SDHALMNA
SCHEMBL7709906 0.91 F10 (0.46) MAOAMAOBPTGS1SDHALMNA
SCHEMBL7707302 0.91 F10 (0.43) MAOAMAOBPTGS1SDHALMNA
SCHEMBL7707300 0.91 F10 (0.43) MAOAMAOBPTGS1SDHALMNA
SCHEMBL7707427 0.90 MAOB (0.46) MAOAMAOBPTGS1SDHALMNA
SCHEMBL7707429 0.90 MAOB (0.46) MAOAMAOBPTGS1SDHALMNA
SCHEMBL7704366 0.90 MAOB (0.63) 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-6362189-B1 GRAMNEGATIVE, GRAMPOSITIVE BACTERIA PHARMACIA AND UPJOHN COMPANY 2002-03-26 US claimed