Bromide

SCHEMBL8890169

Br.COc1ccc(OC)c([C@@]2(O)[C@H](O)CC(c3ccccc3)(c3ccccc3)[C@@H]3CN(C(=O)C(CCCc4ccccc4)N(C)C)C[C@@H]32)c1

nearest known ligand 0.41

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 14)

	gene	UniProt	supporting neighbours	confidence
▸	SIGMAR1 known ✓	Q99720	2/20	0.34

▸	TACR1	P25103	3/20	0.41

▸	POLB	P06746	2/20	0.35

▸	MEN1	O00255	2/20	0.34

▸	KMT2A	Q03164	2/20	0.34

▸	GRIN2B	Q13224	2/20	0.33

▸	SOAT1	P35610	1/20	0.33

▸	LPAR1	Q92633	1/20	0.33

▸	GRIN1	Q05586	1/20	0.33

▸	HPGD	P15428	1/20	0.32

▸	ALDH1A1	P00352	1/20	0.32

▸	CYP3A4	P08684	1/20	0.32

▸	CYP2D6	P10635	1/20	0.32

▸	SMN1; SMN2	Q16637	1/20	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 SCHEMBL8890811	0.92	TACR1 (0.44)	TACR1SIGMAR1LPAR1HPGD
SCHEMBL8891545	0.91	TACR1 (0.44)	TACR1SIGMAR1LPAR1HPGD
Bromide SCHEMBL8891352	0.88	TACR1 (0.41)	TACR1POLBMEN1KMT2AALDH1A1
Bromide SCHEMBL8890180	0.82	TACR1 (0.38)	TACR1GRIN2BALDH1A1
SCHEMBL8892577	0.80	TACR1 (0.39)	TACR1MEN1KMT2ASIGMAR1
Bromide SCHEMBL8891366	0.79	TACR1 (0.37)	TACR1GRIN2BALDH1A1
SCHEMBL8891331	0.78	TACR1 (0.39)	TACR1MEN1KMT2AGRIN2B
Bromide SCHEMBL8890170	0.76	ALDH1A1 (0.37)	TACR1POLBMEN1KMT2ASIGMAR1
SCHEMBL8891902	0.75	SIGMAR1 (0.39)	TACR1KMT2ASIGMAR1ALDH1A1CYP2D6
Bromide SCHEMBL8891355	0.75	ALDH1A1 (0.38)	TACR1POLBMEN1KMT2ASIGMAR1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

Patent	Title	Assignee	Published	Priority	Filing	Country	Status
WO-1997005110-A1	PERHYDROISOINDOLE DERIVATIVES AS SUBSTANCE P AND NEUROKININE A ANTAGONISTS	RHONE-POULENC RORER S.A. (FR)	1997-02-13	—	—	WO	claimed
WO-1997005110-A1	PERHYDROISOINDOLE DERIVATIVES AS SUBSTANCE P AND NEUROKININE A ANTAGONISTS	RHONE-POULENC RORER S.A. (FR)	1997-02-13	—	—	WO	disclosed