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Sugi Predict / Compounds / SCHEMBL8440576

SCHEMBL8440576

SCHEMBL8440576

COS(=O)(=O)CC1CN(c2ccc(-n3cccn3)c(F)c2)C(=O)O1

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ MAOB P27338 10/20 0.47
▸ MAOA P21397 10/20 0.45
▸ CALML3 P27482 3/20 0.43
▸ LMNA P02545 1/20 0.42
▸ PTGS1 P23219 1/20 0.42
▸ SDHA P31040 1/20 0.42
▸ KCNH2 Q12809 1/20 0.41
▸ CYP3A4 P08684 1/20 0.40
▸ CYP2D6 P10635 1/20 0.40

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
SCHEMBL5337288 0.85 MAOB (0.50) MAOBMAOACALML3LMNAPTGS1
SCHEMBL5337295 0.85 MAOB (0.50) MAOBMAOACALML3LMNAPTGS1
SCHEMBL7842933 0.85 MAOB (0.49) MAOBMAOACALML3LMNAPTGS1
SCHEMBL8111373 0.83 CALML3 (0.61) MAOBMAOACALML3LMNAPTGS1
SCHEMBL8111378 0.83 CALML3 (0.61) MAOBMAOACALML3LMNAPTGS1
SCHEMBL8414139 0.82 MAOB (0.52) MAOBMAOACALML3LMNAPTGS1
SCHEMBL23699727 0.81 MAOB (0.69) MAOBMAOACALML3LMNAPTGS1
SCHEMBL12478205 0.81 MAOB (0.69) MAOBMAOACALML3LMNAPTGS1
SCHEMBL7850811 0.80 MAOA (0.68) MAOBMAOACALML3LMNAPTGS1
SCHEMBL7850808 0.80 MAOA (0.68) MAOBMAOACALML3LMNAPTGS1

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-5910504-A BACTERICIDES TREATING INFECTIONS PHARMACIA & UPJOHN (US) 1999-06-08 — — US disclosed