Bromide

Bromide

SCHEMBL11512431

Br.Br.C#CC(CCCNC(=O)C(C)N)NC(=O)C(C)N

nearest known ligand 0.38

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 20)

geneUniProtsupporting neighboursconfidence
▸ DPP7 Q9UHL4 3/20 0.38
▸ DPP8 Q6V1X1 1/20 0.38
▸ DPP4 P27487 1/20 0.35
▸ RRM1 P23921 1/20 0.35
▸ SLC15A1 P46059 1/20 0.34
▸ GNAI3 P08754 1/20 0.33
▸ GNAO1 P09471 1/20 0.33
▸ GNAI1 P63096 1/20 0.33
▸ ANPEP P15144 1/20 0.33
▸ DNPEP Q9ULA0 1/20 0.33
▸ SMYD3 Q9H7B4 2/20 0.32
▸ NOD1 Q9Y239 2/20 0.32
▸ TERT O14746 1/20 0.32
▸ PAX8 Q06710 1/20 0.31
▸ SIRT6 Q8N6T7 1/20 0.31
▸ SIRT1 Q96EB6 1/20 0.31
▸ ALDH1A2 O94788 1/20 0.30
▸ ALDH1A1 P00352 1/20 0.30
▸ ALDH2 P05091 1/20 0.30
▸ ALDH1A3 P47895 1/20 0.30

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
SCHEMBL11511656 0.98 DPP7 (0.39) DPP7DPP8DPP4RRM1SLC15A1
Bromide SCHEMBL11510961 0.84 DPP8 (0.40) DPP7DPP8DPP4RRM1SLC15A1
SCHEMBL11511521 0.83 DPP8 (0.41) DPP7DPP8DPP4RRM1SLC15A1
Bromide SCHEMBL11512553 0.83 CYP2D6 (0.42) DPP7DPP8RRM1SLC15A1GNAI3
SCHEMBL11513096 0.81 CYP2D6 (0.43) DPP7DPP8RRM1SLC15A1GNAI3
SCHEMBL7943423 0.75 ANPEP (0.49) DPP7DPP8RRM1SLC15A1GNAI3
SCHEMBL7945922 0.75 ANPEP (0.49) DPP7DPP8RRM1SLC15A1GNAI3
Bromide SCHEMBL11534511 0.74 DPP7 (0.39) DPP7DPP8DPP4RRM1SLC15A1
SCHEMBL6376396 0.74 NPY4R (0.36) DPP7DPP8DPP4SLC15A1NOD1
SCHEMBL11509895 0.72 KDM4E (0.47) SIRT6SIRT1ALDH1A1

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
US-4139563-A ENZYME INHIBITORS, ANTIFERTILITY AGENTS, IMMUNOSUPPRESSIVES, ANTITUMOR AGENTS MERRELL TORAUDE ET COMPAGNIE (FR) 1979-02-13 — — US disclosed
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