SCHEMBL8701633

SCHEMBL8701633

CC(=O)NCC1CN(c2ccc(-c3ccc(N4CCCCC4)cc3)cn2)C(=O)O1

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ F10 P00742 7/20 0.52
▸ MAOA P21397 5/20 0.50
▸ MAOB P27338 2/20 0.50
▸ LMNA P02545 1/20 0.50
▸ PTGS1 P23219 1/20 0.50
▸ CALML3 P27482 1/20 0.50
▸ SDHA P31040 1/20 0.50
▸ ABCB11 O95342 1/20 0.47
▸ ITGB3 P05106 2/20 0.44
▸ ITGA2B P08514 2/20 0.44

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
SCHEMBL8871159 1.00 F10 (0.52) F10MAOAMAOBLMNAPTGS1
SCHEMBL10196065 0.88 F10 (0.49) F10MAOAMAOBLMNAPTGS1
SCHEMBL8871678 0.87 MAOA (0.46) F10MAOAMAOBLMNAPTGS1
SCHEMBL8703285 0.87 MAOA (0.46) F10MAOAMAOBLMNAPTGS1
SCHEMBL5707296 0.86 ABCB11 (0.45) F10MAOAMAOBLMNAPTGS1
SCHEMBL5707298 0.86 ABCB11 (0.45) F10MAOAMAOBLMNAPTGS1
Hydrochloric Acid SCHEMBL1176888 0.85 ABCB11 (0.45) F10MAOAMAOBLMNAPTGS1
Hydrochloric Acid SCHEMBL1176889 0.85 ABCB11 (0.45) F10MAOAMAOBLMNAPTGS1
SCHEMBL9028107 0.84 ABCB11 (0.44) F10MAOAMAOBLMNAPTGS1
SCHEMBL10196103 0.84 F10 (0.44) F10MAOAMAOBLMNAPTGS1

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-5843967-A 6-membered nitrogen-containing heteroaryl-oxazolidinones BAYER AKTIENGESELLSCHAFT (DE) 1998-12-01 — — US disclosed
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