Trimethylammonium

Trimethylammonium

SCHEMBL7143152

CN(C)C.O=C(Oc1ccc(Cl)cc1Cn1nc(-c2ccc(C(F)(F)F)cc2)oc1=O)c1cccc(CCl)c1

nearest known ligand 0.57

Full drug profile on Sugi Atlas →

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ABHD6 Q9BV23 2/20 0.38
MRGPRX4 Q96LA9 3/20 0.37
PTGER1 P34995 3/20 0.36
MAPK1 P28482 1/20 0.36
NR1H2 P55055 1/20 0.34
NR1H3 Q13133 1/20 0.34
MAPT P10636 1/20 0.34
THRB P10828 1/20 0.34
USP2 O75604 1/20 0.34
ALDH1A1 P00352 1/20 0.34
ALOX15 P16050 1/20 0.34
PTGER4 P35408 1/20 0.34
SNCA P37840 1/20 0.34

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
Trimethylammonium SCHEMBL7146317 0.92 PTGER4 (0.37) ABHD6PTGER1MAPTTHRBALDH1A1
Hydrochloric Acid SCHEMBL7146271 0.90 PTGER1 (0.39) ABHD6MRGPRX4PTGER1MAPK1
Hydrochloric Acid SCHEMBL7143155 0.89 ABHD6 (0.38) ABHD6MRGPRX4PTGER1MAPK1NR1H2
Hydrochloric Acid SCHEMBL7146578 0.87 PTGER1 (0.37) ABHD6MRGPRX4PTGER1MAPK1
Hydrochloric Acid SCHEMBL7141769 0.86 PTGER1 (0.41) ABHD6PTGER1MAPK1
Hydrochloric Acid SCHEMBL7139220 0.85 PTGER1 (0.47) MRGPRX4PTGER1MAPK1
Hydrochloric Acid SCHEMBL7146319 0.82 FAAH (0.36) PTGER1PTGER4
SCHEMBL7209116 0.81 GAA (0.38) ABHD6PTGER1
SCHEMBL8058096 0.81 CETP (0.38) ABHD6PTGER1
Hydrochloric Acid SCHEMBL7144634 0.81 PTGER1 (0.37) PTGER1PTGER4

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1056730-A4 BENZOATE DERIVATIVES OF DIARYL 1,3,4-OXADIAZOLONE BRISTOL MYERS SQUIBB CO (US) 2003-01-02 EP claimed
EP-1056730-A1 BENZOATE DERIVATIVES OF DIARYL 1,3,4-OXADIAZOLONE Bristol-Myers Squibb Company (US) 2000-12-06 EP claimed
WO-1999038854-A1 BENZOATE DERIVATIVES OF DIARYL 1,3,4-OXADIAZOLONE BRISTOL-MYERS SQUIBB COMPANY (US) 1999-08-05 WO claimed