Bromide

SCHEMBL5485347

Br.Cc1c(C(=O)CN2Cc3ccc(C4CC4)nc3C2=N)cc(C(C)(C)C)c2c1N(C(N)=O)C(=O)C(CC(=O)O)O2

nearest known ligand 0.00

Known targets — ChEMBL curated mechanism

ACHE ADRA1A ADRA1B ADRA1D ADRA2A ADRA2B ADRA2C ADRB1 ADRB2 ADRB3 APH1A APH1B CHRM2 CHRM3 EZH2 GRIN2A HTR1A HTR1B HTR1D HTR1F HTR3A NCSTN P2RY12 PSEN1 PSEN2 PSENEN SIGMAR1 SLC6A2 SLC6A3 SLC6A4

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.

⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.

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.

Compound	similarity	top predicted	shared targets
Bromide SCHEMBL1729577	0.81	F2R (0.32)	—
Bromide SCHEMBL1730985	0.79	F2R (0.31)	—
Bromide SCHEMBL1732865	0.78	F2R (0.35)	—
Bromide SCHEMBL5490189	0.76	F2R (0.33)	—
Bromide SCHEMBL1732487	0.74	F2R (0.35)	—
Bromide SCHEMBL5483188	0.71	F2R (0.35)	—
SCHEMBL14449091	0.70	F2R (0.41)	—
Bromide SCHEMBL1729506	0.69	F2R (0.38)	—
Hydrochloric Acid SCHEMBL5484989	0.69	F2R (0.39)	—
Bromide SCHEMBL5494493	0.69	F2R (0.34)	—

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.

Patent	Title	Assignee	Published	Priority	Filing	Country	Status
US-7244730-B2	2-iminopyrrolidine derivatives	EISAI CO., LTD (JP)	2007-07-17	—	—	US	disclosed
US-20050245592-A1	2-Iminopyrrolidine derivatives	EISAI R&D MANAGEMENT CO., LTD. (JP)	2005-11-03	—	—	US	disclosed
US-20050004204-A1	2-Iminopyrrolidine derivatives	EISAI R&D MANAGEMENT CO., LTD. (JP)	2005-01-06	—	—	US	disclosed