Bromide

SCHEMBL1731986

Br.CCC(C(=O)O)N1CCN(Cc2cc(C(=O)CN3Cc4ccc(C5CC5)nc4C3=N)cc(C(C)(C)C)c2)CC1

nearest known ligand 0.32

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.

Predicted protein targets (top 1)

	gene	UniProt	supporting neighbours	confidence
▸	F2R	P25116	2/20	0.32

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.

Compound	similarity	top predicted	shared targets
Bromide SCHEMBL5486542	0.90	F2R (0.36)	F2R
Bromide SCHEMBL1731717	0.89	F2R (0.31)	F2R
Bromide SCHEMBL1731453	0.84	KDM4E (0.37)	F2R
Bromide SCHEMBL1730432	0.84	FURIN (0.33)	F2R
Bromide SCHEMBL5494507	0.79	F2R (0.38)	F2R
Bromide SCHEMBL1730548	0.78	KDM4E (0.32)	F2R
Bromide SCHEMBL1730633	0.78	ACHE (0.40)	F2R
Bromide SCHEMBL1731745	0.76	F2R (0.36)	F2R
Bromide SCHEMBL1730506	0.76	F2R (0.50)	F2R
Bromide SCHEMBL1729650	0.75	F2R (0.56)	F2R

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.

Patent	Title	Assignee	Published	Priority	Filing	Country	Status
EP-1391451-B1	2-IMINOPYRROLIDINE DERIVATES	EISAI R&D MAN CO LTD (JP)	2011-11-23	—	—	EP	disclosed