Monoethanolamine

Monoethanolamine

SCHEMBL19611144

NC(CC(=O)N1CCn2c(C(F)(F)F)nc(C(=O)O)c2C1)Cc1cc(F)c(F)cc1F.NCCO

nearest known ligand 0.76

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

MPL

The experimentally established mechanism targets of Monoethanolamine. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ DPP4 P27487 20/20 0.76
▸ DPP8 Q6V1X1 10/20 0.66
▸ DPP9 Q86TI2 3/20 0.66
▸ DPP7 Q9UHL4 3/20 0.66
▸ ACE P12821 1/20 0.66
▸ HTR2A P28223 1/20 0.66
▸ FAP Q12884 1/20 0.66

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
Monoethanolamine SCHEMBL440941 1.00 DPP4 (0.76) DPP4DPP8DPP9DPP7ACE
Monoethanolamine SCHEMBL1724443 1.00 DPP4 (0.76) DPP4DPP8DPP9DPP7ACE
SCHEMBL439385 0.96 DPP4 (0.81) DPP4DPP8DPP9DPP7ACE
SCHEMBL409961 0.96 DPP4 (0.81) DPP4DPP8DPP9DPP7ACE
Hydrochloric Acid SCHEMBL440700 0.96 DPP4 (0.79) DPP4DPP8DPP9DPP7ACE
Hydrochloric Acid SCHEMBL440290 0.96 DPP4 (0.79) DPP4DPP8DPP9DPP7ACE
Phosphoric Acid SCHEMBL441309 0.93 DPP4 (0.76) DPP4DPP8DPP9DPP7ACE
Phosphoric Acid SCHEMBL441308 0.93 DPP4 (0.76) DPP4DPP8DPP9DPP7ACE
Cadaverine Tartrate SCHEMBL443141 0.92 DPP4 (0.75) DPP4DPP8DPP9DPP7ACE
SCHEMBL441588 0.91 DPP4 (0.75) DPP4DPP8DPP9DPP7ACE

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-2404921-B1 SALTS OF TETRAHYDROIMIDAZO[1,5-a]PYRAZINE DERIVATIVES, PREPARATION METHODS AND PHARMACEUTICAL USE THEREOF JIANGSU HENGRUI MEDICINE CO (CN) 2017-11-22 — — EP disclosed
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