Bromide

Bromide

SCHEMBL1732862

Br.CCOc1cc2c(cc1C(=O)NC)C(=N)N(CC(=O)c1cc(CN3CCN(C(CC)C(=O)O)CC3)cc(C(C)(C)C)c1)C2

nearest known ligand 0.39

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 8)

geneUniProtsupporting neighboursconfidence
F2R P25116 6/20 0.39
DDR1 Q08345 1/20 0.31
KDM4E B2RXH2 1/20 0.31
NPC1 O15118 1/20 0.31
MAPT P10636 1/20 0.31
RAB9A P51151 1/20 0.31
MDM2 Q00987 1/20 0.31
HDAC1 Q13547 1/20 0.31

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 SCHEMBL5484791 0.92 F2R (0.45) F2RDDR1KDM4ENPC1MAPT
Bromide SCHEMBL1729708 0.87 F2R (0.39) F2RKDM4ENPC1MAPTRAB9A
Bromide SCHEMBL1731291 0.85 F2R (0.39) F2RKDM4ENPC1MAPTRAB9A
Bromide SCHEMBL1731664 0.85 F2R (0.38) F2R
Bromide SCHEMBL1731453 0.83 KDM4E (0.37) F2RDDR1KDM4ENPC1MAPT
Bromide SCHEMBL1729650 0.82 F2R (0.56) F2R
Bromide SCHEMBL5490632 0.81 F2R (0.46) F2RKDM4ENPC1MAPTRAB9A
Bromide SCHEMBL1731450 0.80 F2R (0.38) F2RKDM4ENPC1MAPTRAB9A
Bromide SCHEMBL1731167 0.79 MAPT (0.45) F2RKDM4ENPC1MAPTRAB9A
Hydrochloric Acid SCHEMBL1729737 0.79 F2R (0.37) F2RKDM4ENPC1MAPTRAB9A

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-1391451-B1 2-IMINOPYRROLIDINE DERIVATES EISAI R&D MAN CO LTD (JP) 2011-11-23 EP disclosed