Sugi Predict

Sugi Predict / Compounds / Bromide

Bromide

Bromide

SCHEMBL7650459

CCC(=O)Oc1ccc(C[N+]2(C)C3CCC2CC(C(CCCC(=O)O)(C(=O)O)C2CC4CCC(C2)[N+]4(C)Cc2ccc(OC(=O)CC)c(OC(=O)CC)c2)C3)cc1OC(=O)CC.[Br-].[Br-]

nearest known ligand 0.39

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

ACHECHKACHRM1CHRM2CHRM3CHRM4CHRM5CHRNA1CHRNB1CHRNDCHRNECHRNGHRH2OPRM1

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

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ CHRM3 known ✓ P20309 1/20 0.32
▸ ALOX15 P16050 3/20 0.39

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
Bromide SCHEMBL7655365 0.95 ALOX15 (0.41) ALOX15CHRM3
Bromide SCHEMBL8396930 0.89 ALOX15 (0.41) ALOX15CHRM3
Bromide SCHEMBL8396934 0.89 ALOX15 (0.41) ALOX15CHRM3
Bromide SCHEMBL7663198 0.86 CCR5 (0.36) CHRM3
Bromide SCHEMBL8399536 0.83 PTGS1 (0.37) —
Bromide SCHEMBL8399538 0.83 PTGS1 (0.37) —
Bromide SCHEMBL8399528 0.80 ALOX15 (0.39) ALOX15CHRM3
Bromide SCHEMBL8399532 0.80 ALOX15 (0.39) ALOX15CHRM3
Bromide SCHEMBL7661951 0.79 CCR5 (0.35) CHRM3
Bromide SCHEMBL7661952 0.79 CCR5 (0.35) CHRM3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5990124-A ALKOXY AND/OR ACYLOXY DI- AND POLY-SUBSTITUTED ARALKYL AND ARALKENYL BIS-QUATERNARY AMMONIUM DERIVATIVES OF CYCLIC ALKANOL DIESTERS; SUCH AS BIS(N-(4-ACETOXY-3-METHOXYBENZYL) TROPANIUM-3-YL)-3,6-ENDOMETHYLENE-1,2,3,6-TETRAHYDROPHTHALATE GYERMEK LASZLO (US) 1999-11-23 — — US claimed
US-6376510-B1 ADMINISTERING A ALKOXY- AND ACYLOXY-SUBSTITUTED ARALKYL AND ARALKENYL BIS QUATERNARY AMMONIUM DERIVATIVES OF CYCLIC ALKANOL DIESTERS TO A HUMAN AS MUSCLE RELAXANTS NEWLAXANT LLC 2002-04-23 — — US disclosed
Send feedback