Bromide

Bromide

SCHEMBL10635874

Br.Br.CC(C)C[C@@H](CO)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H](N)Cc1cccc2ccccc12

nearest known ligand 0.45

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 14)

geneUniProtsupporting neighboursconfidence
▸ MMP9 P14780 3/20 0.45
▸ MMP8 P22894 3/20 0.45
▸ MMP2 P08253 2/20 0.45
▸ REN P00797 7/20 0.41
▸ OPRD1 P41143 1/20 0.41
▸ MMP14 P50281 1/20 0.39
▸ IL1RN P18510 3/20 0.39
▸ ERAP2 Q6P179 2/20 0.39
▸ ANPEP P15144 1/20 0.39
▸ PSMB5 P28074 1/20 0.39
▸ MME P08473 1/20 0.38
▸ ACE P12821 1/20 0.38
▸ CPA1 P15085 1/20 0.38
▸ ACE2 Q9BYF1 1/20 0.38

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 SCHEMBL10976755 1.00 MMP9 (0.45) MMP9MMP8MMP2RENOPRD1
SCHEMBL10981168 0.86 REN (0.58) MMP9MMP8RENIL1RNERAP2
SCHEMBL10980933 0.86 MMP9 (0.45) MMP9MMP8MMP2RENMMP14
SCHEMBL10976366 0.86 REN (0.58) MMP9MMP8RENIL1RNERAP2
SCHEMBL10633366 0.86 REN (0.58) MMP9MMP8RENIL1RNERAP2
SCHEMBL10636529 0.86 REN (0.58) MMP9MMP8RENIL1RNERAP2
SCHEMBL10522370 0.85 REN (0.44) MMP9MMP8MMP2RENERAP2
SCHEMBL10519920 0.85 MMP2 (0.50) MMP9MMP8MMP2REN
SCHEMBL10520294 0.84 REN (0.42) MMP9MMP8MMP2RENIL1RN
SCHEMBL10522694 0.84 MMP9 (0.44) MMP9MMP8MMP2RENMMP14

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-0128762-B1 NEW HYPOTENSIVE PEPTIDES, THEIR PREPARATION AND THEIR USE SANKYO COMPANY LIMITED (JP) 1988-06-08 — — EP disclosed
US-4548926-A RENIN INHIBITOR SANKYO COMPANY LIMITED (JP) 1985-10-22 — — US disclosed
EP-0128762-A2 New hypotensive peptides, their preparation and their use SANKYO COMPANY LIMITED (JP) 1984-12-19 — — EP disclosed
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