SCHEMBL22261648

SCHEMBL22261648

CC(=O)NCC1CN(c2ccc(-c3ccc(CNCCCF)cc3)c(F)c2)OO1

nearest known ligand 0.73

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ MAOA P21397 5/20 0.40
▸ CALML3 P27482 6/20 0.37
▸ MAOB P27338 2/20 0.37
▸ LMNA P02545 1/20 0.37
▸ PTGS1 P23219 1/20 0.37
▸ SDHA P31040 1/20 0.37
▸ S1PR1 P21453 1/20 0.34
▸ CD274 Q9NZQ7 2/20 0.33
▸ VSIR Q9H7M9 1/20 0.33
▸ PDCD1 Q15116 1/20 0.33

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
SCHEMBL3166248 0.85 MAOA (0.58) MAOACALML3MAOBLMNAPTGS1
SCHEMBL6024297 0.85 MAOA (0.58) MAOACALML3MAOBLMNAPTGS1
SCHEMBL3166255 0.85 MAOA (0.58) MAOACALML3MAOBLMNAPTGS1
Hydrochloric Acid SCHEMBL30061895 0.84 MAOA (0.57) MAOACALML3MAOBLMNAPTGS1
SCHEMBL6022852 0.82 MAOA (0.57) MAOACALML3MAOBLMNAPTGS1
SCHEMBL6022851 0.82 MAOA (0.57) MAOACALML3MAOBLMNAPTGS1
SCHEMBL22261645 0.82 MAOA (0.39) MAOACALML3MAOBLMNAPTGS1
SCHEMBL14386911 0.80 BPTF (0.43) MAOACALML3MAOBLMNAPTGS1
SCHEMBL6023931 0.80 MAOA (0.61) MAOACALML3MAOBLMNAPTGS1
SCHEMBL6023927 0.80 MAOA (0.61) MAOACALML3MAOBLMNAPTGS1

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
EP-2635307-B1 PHARMACEUTICAL COMPOSITIONS MELINTA SUBSIDIARY CORP (US) 2020-07-29 — — EP claimed
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