SCHEMBL7546100

CC[C@H](C)[C@H](C(=O)O)N1C[C@H](CN2CCC(c3cc(Cc4ccc(OC(C)(C)C)cc4)nn3CC)CC2)[C@@H](c2cccc(F)c2)C1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 4)

	gene	UniProt	supporting neighbours	confidence
▸	CCR5	P51681	20/20	1.00

▸	KCNH2	Q12809	4/20	1.00

▸	DRD3	P35462	1/20	0.90

▸	SLC6A3	Q01959	1/20	0.90

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
SCHEMBL7546107	1.00	CCR5 (1.00)	CCR5KCNH2DRD3SLC6A3
SCHEMBL7553143	1.00	CCR5 (1.00)	CCR5KCNH2DRD3SLC6A3
SCHEMBL7548599	0.95	CCR5 (1.00)	CCR5KCNH2
SCHEMBL7548590	0.95	CCR5 (1.00)	CCR5KCNH2
SCHEMBL7548442	0.92	CCR5 (1.00)	CCR5KCNH2
SCHEMBL7547561	0.92	CCR5 (1.00)	CCR5KCNH2
SCHEMBL7545620	0.91	CCR5 (1.00)	CCR5KCNH2
SCHEMBL7545627	0.91	CCR5 (1.00)	CCR5KCNH2
SCHEMBL7548923	0.91	CCR5 (1.00)	CCR5KCNH2
SCHEMBL7543340	0.89	CCR5 (1.00)	CCR5KCNH2

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

Patent	Title	Assignee	Published	Priority	Filing	Country	Status
EP-1171122-A4	PYRROLIDINE MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY	MERCK & CO INC (US)	2002-05-29	—	—	EP	disclosed
EP-1171122-A1	PYRROLIDINE MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY	Merck & Co., Inc. (US)	2002-01-16	—	—	EP	disclosed
US-6248755-B1	ANTIINFLAMMATORY AGENTS; ANTIALLERGENS; AUTOIMMUNE DISEASES	MERCK & CO., INC.	2001-06-19	—	—	US	disclosed
WO-2000059502-A1	PYRROLIDINE MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY	MERCK & CO., INC. (US)	2000-10-12	—	—	WO	disclosed