Trimethylammonium

Trimethylammonium

SCHEMBL8747487

BCC(=O)NCC.CN(C)C

nearest known ligand 0.43

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 1/20 0.43
FAAH O00519 1/20 0.41
MMP1 P03956 1/20 0.36
MMP2 P08253 1/20 0.36
MMP3 P08254 1/20 0.36
MMP9 P14780 1/20 0.36
MMP8 P22894 1/20 0.36
KMT2A Q03164 2/20 0.34
CHRNB2 P17787 1/20 0.33
CHRNB4 P30926 1/20 0.33
CHRNA3 P32297 1/20 0.33
CHRNA4 P43681 1/20 0.33
ALDH1A1 P00352 2/20 0.32
GAA P10253 1/20 0.32
MEN1 O00255 1/20 0.32
CYP3A4 P08684 1/20 0.32
CAPN1 P07384 1/20 0.32
PKM P14618 1/20 0.32
USP2 O75604 1/20 0.31
TSHR P16473 1/20 0.31

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
SCHEMBL10448354 0.92
Ammonia Solution, Strong SCHEMBL8747560 0.90
SCHEMBL9063243 0.76 MCL1 (0.36) MCL1FAAHMMP1MMP2MMP3
SCHEMBL23992106 0.76 MCL1 (0.36) MCL1FAAHMMP1MMP2MMP3
Trimethylammonium SCHEMBL5474671 0.74 MMP1 (0.39) MCL1FAAHMMP1MMP2MMP3
SCHEMBL1829003 0.72
SCHEMBL25495415 0.72
SCHEMBL5909428 0.72 MCL1 (0.55) MCL1FAAHMMP1MMP2MMP3
SCHEMBL95875 0.69
SCHEMBL5909462 0.69 FAAH (0.64) MCL1FAAHMMP1MMP2MMP3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0402160-B1 Amine-Alkylborane derivatives and methods BORON BIOLOG INC (US) 1997-03-12 EP claimed
US-5023513-A Amine-alkylborane derivatives and methods BORON BIOLOGICALS, INC. (US) 1991-06-11 US claimed
EP-0402160-A2 Amine-Alkylborane derivatives and methods BORON BIOLOGICALS, INC. (US) 1990-12-12 EP claimed
EP-0402160-B1 Amine-Alkylborane derivatives and methods BORON BIOLOG INC (US) 1997-03-12 EP disclosed
US-5023513-A Amine-alkylborane derivatives and methods BORON BIOLOGICALS, INC. (US) 1991-06-11 US disclosed
EP-0402160-A2 Amine-Alkylborane derivatives and methods BORON BIOLOGICALS, INC. (US) 1990-12-12 EP disclosed