Bromide

Bromide

SCHEMBL7280488

Br.CC(C)C[C@H](N)C(=O)N1CCC[C@H]1C(N)=O

nearest known ligand 0.62

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
DPP4 P27487 5/20 0.62
DPP8 Q6V1X1 2/20 0.62
DPP9 Q86TI2 2/20 0.62
DPP7 Q9UHL4 2/20 0.62
ERAP2 Q6P179 1/20 0.48
ERAP1 Q9NZ08 1/20 0.48
LNPEP Q9UIQ6 1/20 0.48
ACE P12821 7/20 0.44
REN P00797 4/20 0.44
KDM4E B2RXH2 1/20 0.44
F2 P00734 1/20 0.44
LMNA P02545 1/20 0.44
LTA4H P09960 1/20 0.44
MAPT P10636 1/20 0.44
PEPD P12955 1/20 0.44
ALOX15 P16050 1/20 0.44
PTGS1 P23219 1/20 0.44
HTR2A P28223 1/20 0.44
PTGS2 P35354 1/20 0.44
HRH1 P35367 1/20 0.44

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
SCHEMBL13596841 0.98 DPP4 (0.63) DPP4DPP8DPP9DPP7ERAP2
SCHEMBL4409965 0.98 DPP4 (0.63) DPP4DPP8DPP9DPP7ERAP2
SCHEMBL4411036 0.98 DPP4 (0.63) DPP4DPP8DPP9DPP7ERAP2
Hydrochloric Acid SCHEMBL11331994 0.97 DPP4 (0.62) DPP4DPP8DPP9DPP7ERAP2
Hydrochloric Acid SCHEMBL11168287 0.93 DPP4 (0.57) DPP4DPP8DPP9DPP7ERAP2
Trifluoroacetic Acid SCHEMBL9508365 0.90 DPP4 (0.54) DPP4DPP8DPP9DPP7ERAP2
SCHEMBL30729290 0.87 DPP4 (0.63) DPP4DPP8DPP9DPP7ACE
SCHEMBL3052901 0.87 DPP4 (0.63) DPP4DPP8DPP9DPP7ACE
SCHEMBL10056816 0.87 DPP4 (0.63) DPP4DPP8DPP9DPP7ACE
SCHEMBL30567640 0.87 DPP4 (0.63) DPP4DPP8DPP9DPP7ACE

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-0473993-B1 Novel peptide derivatives and their pharmaceutical use JAPAN TOBACCO INC (JP) 1996-04-17 EP disclosed
US-5151497-A Central nervous system disorders, antidepressants, epilepsy and cognition activators JAPAN TOBACCO INC. (JP) 1992-09-29 US disclosed
EP-0473993-A2 Novel peptide derivatives and their pharmaceutical use Japan Tobacco Inc. (JP) 1992-03-11 EP disclosed