Brucine

SCHEMBL29686201

COc1cc2c(cc1OC)[C@@]13CCN4CC5=CCO[C@H]6CC(=O)N2[C@H]1[C@H]6[C@H]5C[C@H]43.COc1cc2c(cc1OC)[C@@]13CCN4CC5=CCO[C@H]6CC(=O)N2[C@H]1[C@H]6[C@H]5C[C@H]43.O.O=S(=O)(O)O

nearest known ligand 0.91

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

ADRA1A ADRA1B ADRA1D ADRA2A ADRA2B ADRA2C ADRB1 ADRB2 ADRB3 CALCRL CHRM1 CHRM2 CHRM3 F2R MAOA MAOB MAP2K1 MAP2K2 NTRK1 NTRK2 NTRK3 OPRD1 OPRK1 OPRM1 P2RY12 PKLR SCN10A SCN11A SCN1A SCN2A SCN3A SCN4A SCN5A SCN7A SCN8A SCN9A SLC18A2 SLC6A2 SLC6A3 TLR7 TLR9 TUBA1A TUBA1B TUBA1C TUBA3C TUBA3E TUBA4A TUBB TUBB1 TUBB2A TUBB2B TUBB3 TUBB4A TUBB4B TUBB6 TUBB8 dacA dacB dacC folA ftsI mrcA mrcB mrdA pol rplA rplB rplC rplD rplE rplF rplI rplJ rplK rplL rplM rplN rplO rplP rplQ rplR rplS rplT rplU rplV rplW rplX rplY rpmA rpmB rpmB1 rpmB2 rpmC rpmD rpmE rpmE2 rpmF rpmG rpmG1 rpmG2 rpmH rpmI rpmJ rpmJ2 rpsA rpsB rpsC rpsD rpsE rpsF rpsG rpsH rpsI rpsJ rpsK rpsL rpsM rpsN rpsO rpsP rpsQ rpsR rpsR1 rpsR2 rpsS rpsT rpsU rpsZ ykgM ykgO

The experimentally established mechanism targets of Brucine. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 13)

	gene	UniProt	supporting neighbours	confidence
▸	CHRM1 known ✓	P11229	1/20	0.91

▸	SCN1A known ✓	P35498	1/20	0.65

▸	SCN2A known ✓	Q99250	1/20	0.65

▸	SCN3A known ✓	Q9NY46	1/20	0.65

▸	TAS2R10	Q9NYW0	2/20	0.91

▸	SMN1; SMN2	Q16637	1/20	0.91

▸	GLRA1	P23415	14/20	0.67

▸	GLRB	P48167	12/20	0.67

▸	CYP3A4	P08684	2/20	0.65

▸	MEN1	O00255	2/20	0.65

▸	KMT2A	Q03164	2/20	0.65

▸	TAS2R46	P59540	1/20	0.65

▸	CYP1A2	P05177	1/20	0.62

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
Brucine SCHEMBL6227984	1.00	TAS2R10 (0.91)	TAS2R10CHRM1SMN1; SMN2GLRA1GLRB
Brucine SCHEMBL30616038	0.99	TAS2R10 (0.92)	TAS2R10CHRM1SMN1; SMN2GLRA1GLRB
Brucine SCHEMBL1727378	0.99	TAS2R10 (0.92)	TAS2R10CHRM1SMN1; SMN2GLRA1GLRB
Brucine SCHEMBL524833	0.96	TAS2R10 (0.98)	TAS2R10CHRM1SMN1; SMN2GLRA1GLRB
Brucine SCHEMBL6794678	0.96	TAS2R10 (0.98)	TAS2R10CHRM1SMN1; SMN2GLRA1GLRB
Brucine SCHEMBL7427549	0.96	TAS2R10 (0.98)	TAS2R10CHRM1SMN1; SMN2GLRA1GLRB
Brucine SCHEMBL6233075	0.96	TAS2R10 (0.98)	TAS2R10CHRM1SMN1; SMN2GLRA1GLRB
Brucine SCHEMBL28536349	0.96	TAS2R10 (0.98)	TAS2R10CHRM1SMN1; SMN2GLRA1GLRB
Brucine SCHEMBL23468158	0.95	TAS2R10 (1.00)	TAS2R10CHRM1SMN1; SMN2GLRA1GLRB
Brucine SCHEMBL113229	0.95	TAS2R10 (1.00)	TAS2R10CHRM1SMN1; SMN2GLRA1GLRB

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
US-11759445-B2	Use of Rivastigmine in preparation of anti-radiation medicament	SOOCHOW UNIVERSITY (CN)	2023-09-19	—	—	US	disclosed
US-20220175714-A1	USE OF RIVASTIGMINE IN PREPARATION OF ANTI-RADIATION MEDICAMENT	SOOCHOW UNIVERSITY (CN)	2022-06-09	—	—	US	disclosed