Bromide

SCHEMBL8891352

Br.CCN(CC)C(CCc1ccccc1)C(=O)N1C[C@@H]2[C@H](C1)[C@@](O)(c1cc(OC)ccc1OC)[C@H](O)CC2(c1ccccc1)c1ccccc1

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 16)

	gene	UniProt	supporting neighbours	confidence
▸	TACR1	P25103	4/20	0.41

▸	MEN1	O00255	3/20	0.35

▸	KMT2A	Q03164	3/20	0.35

▸	ALDH1A1	P00352	3/20	0.33

▸	KDM4E	B2RXH2	2/20	0.33

▸	NPSR1	Q6W5P4	1/20	0.33

▸	POLB	P06746	3/20	0.33

▸	FNTA	P49354	1/20	0.33

▸	FNTB	P49356	1/20	0.33

▸	CYP3A4	P08684	1/20	0.32

▸	CYP2D6	P10635	1/20	0.32

▸	SMN1; SMN2	Q16637	1/20	0.32

▸	NPC1	O15118	1/20	0.32

▸	ALOX15	P16050	1/20	0.32

▸	GAA	P10253	1/20	0.32

▸	TDP1	Q9NUW8	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 SCHEMBL8890169	0.88	TACR1 (0.41)	TACR1MEN1KMT2AALDH1A1POLB
Bromide SCHEMBL8891366	0.84	TACR1 (0.37)	TACR1ALDH1A1KDM4EFNTAFNTB
SCHEMBL8891331	0.81	TACR1 (0.39)	TACR1MEN1KMT2AFNTAFNTB
Bromide SCHEMBL8890811	0.80	TACR1 (0.44)	TACR1FNTAFNTB
SCHEMBL8891545	0.79	TACR1 (0.44)	TACR1FNTAFNTB
Bromide SCHEMBL8890180	0.79	TACR1 (0.38)	TACR1ALDH1A1KDM4EFNTAFNTB
Bromide SCHEMBL8891355	0.77	ALDH1A1 (0.38)	TACR1MEN1KMT2AALDH1A1KDM4E
SCHEMBL8892577	0.77	TACR1 (0.39)	TACR1MEN1KMT2AFNTAFNTB
Bromide SCHEMBL8890170	0.75	ALDH1A1 (0.37)	TACR1MEN1KMT2AALDH1A1KDM4E
SCHEMBL8891902	0.74	SIGMAR1 (0.39)	TACR1KMT2AALDH1A1KDM4ECYP2D6

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