SCHEMBL29583693

CC(=O)[C@]1(O)C=C[C@H]2[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3C)[C@@H]1O5

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 7)

	gene	UniProt	supporting neighbours	confidence
▸	MRGPRX2	Q96LB1	4/20	1.00

▸	OPRM1	P35372	9/20	0.62

▸	OPRD1	P41143	9/20	0.61

▸	OPRK1	P41145	7/20	0.61

▸	SLC22A1	O15245	1/20	0.61

▸	ADRA2A	P08913	1/20	0.61

▸	ARRB1	P49407	1/20	0.61

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
SCHEMBL29449917	1.00	MRGPRX2 (1.00)	MRGPRX2OPRM1OPRD1OPRK1SLC22A1
SCHEMBL154048	1.00	MRGPRX2 (1.00)	MRGPRX2OPRM1OPRD1OPRK1SLC22A1
Hydrochloric Acid SCHEMBL27754570	0.99	MRGPRX2 (0.98)	MRGPRX2OPRM1OPRD1OPRK1SLC22A1
Methoxymethane SCHEMBL27466715	0.97	MRGPRX2 (0.94)	MRGPRX2OPRM1OPRD1OPRK1SLC22A1
SCHEMBL10527174	0.90	MRGPRX2 (0.82)	MRGPRX2OPRM1OPRD1OPRK1SLC22A1
SCHEMBL8362208	0.90	MRGPRX2 (0.81)	MRGPRX2OPRM1OPRD1OPRK1SLC22A1
SCHEMBL8356924	0.88	MRGPRX2 (0.79)	MRGPRX2OPRM1OPRD1OPRK1SLC22A1
SCHEMBL5108263	0.88	MRGPRX2 (1.00)	MRGPRX2OPRM1OPRD1OPRK1
SCHEMBL29459625	0.88	MRGPRX2 (1.00)	MRGPRX2OPRM1OPRD1OPRK1
Hydrochloric Acid SCHEMBL8168636	0.87	MRGPRX2 (0.98)	MRGPRX2OPRM1OPRD1OPRK1

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
CN-114324639-A	Mixed-mode weak cation solid-phase extraction material and preparation method and application thereof	浙江工业大学	2022-04-12	—	—	CN	disclosed