SCHEMBL9631733

C=C[C@@]1(C)CC(=O)[C@]2(O)[C@@]3(C)[C@@H](O)CCC(C)(C)[C@@H]3[C@H](OC(=O)COC(=O)CNC(c3ccccc3)(c3ccccc3)c3ccccc3)[C@H](O)[C@@]2(C)O1

nearest known ligand 0.64

Predicted protein targets (top 5)

	gene	UniProt	supporting neighbours	confidence
▸	ADCY1	Q08828	18/20	0.64

▸	MLNR	O43193	1/20	0.54

▸	NR1I2	O75469	1/20	0.54

▸	ADRA1A	P35348	1/20	0.54

▸	KCNH2	Q12809	1/20	0.54

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
SCHEMBL9629690	0.94	ADCY1 (0.66)	ADCY1MLNRNR1I2ADRA1AKCNH2
SCHEMBL9629828	0.92	ADCY1 (0.64)	ADCY1NR1I2ADRA1A
SCHEMBL10700780	0.85	ADCY1 (0.70)	ADCY1MLNRNR1I2ADRA1AKCNH2
Hydrochloric Acid SCHEMBL10588367	0.83	ADCY1 (0.70)	ADCY1MLNRNR1I2ADRA1AKCNH2
SCHEMBL9737438	0.82	ADCY1 (0.75)	ADCY1MLNRNR1I2ADRA1AKCNH2
Hydrochloric Acid SCHEMBL10762164	0.81	ADCY1 (0.72)	ADCY1
SCHEMBL9737095	0.81	ADCY1 (0.76)	ADCY1MLNRNR1I2ADRA1AKCNH2
SCHEMBL9631043	0.80	ADCY1 (0.79)	ADCY1MLNRNR1I2ADRA1AKCNH2
SCHEMBL11538072	0.80	ADCY1 (0.77)	ADCY1MLNRNR1I2ADRA1AKCNH2
SCHEMBL10657801	0.80	ADCY1 (0.76)	ADCY1

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-5093331-A	Inotropic, hypotensive, glaucoma	HOECHST AKTIENGESELLSCHAFT (DE)	1992-03-03	—	—	US	disclosed
EP-0318855-A2	Labdane derivatives, process for their preparation and their use as medicines	HOECHST AKTIENGESELLSCHAFT (DE)	1989-06-07	—	—	EP	disclosed