Bromide

Bromide

SCHEMBL9412481

Br.Br.CNc1cc2c(cc1C(=O)NCCC(=O)O)nc(CCC1CCNCC1)n2C

nearest known ligand 0.46

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

ACHEADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2ADRB3APH1AAPH1BCHRM2CHRM3EZH2GRIN2AHTR1AHTR1BHTR1DHTR1FHTR3ANCSTNP2RY12PSEN1PSEN2PSENENSIGMAR1SLC6A2SLC6A3SLC6A4

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 3)

geneUniProtsupporting neighboursconfidence
▸ ITGB3 P05106 20/20 0.46
▸ ITGA2B P08514 20/20 0.46
▸ ITGA2 P17301 1/20 0.43

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
SCHEMBL9412438 0.90 ITGB3 (0.38) ITGB3ITGA2BITGA2
Bromide SCHEMBL9412670 0.88 ITGB3 (0.45) ITGB3ITGA2BITGA2
SCHEMBL9412435 0.87 ITGB3 (0.46) ITGB3ITGA2BITGA2
Bromide SCHEMBL9412462 0.84 ITGB3 (0.56) ITGB3ITGA2BITGA2
SCHEMBL9188544 0.83 ITGB3 (0.57) ITGB3ITGA2BITGA2
SCHEMBL9412685 0.81 ITGB3 (0.38) ITGB3ITGA2B
SCHEMBL9412475 0.80 HTR4 (0.42) ITGB3ITGA2B
SCHEMBL9412599 0.80 HTR4 (0.38) ITGB3ITGA2B
SCHEMBL9412627 0.79 ITGB3 (0.37) ITGB3ITGA2B
Bromide SCHEMBL9412639 0.76 ITGB3 (0.51) ITGB3ITGA2BITGA2

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-0611660-A2 Condensed 5-membered heterocycles, process for their preparation and medicines containing these compounds Dr. Karl Thomae GmbH (DE) 1994-08-24 — — EP disclosed
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