Pf-232798

SCHEMBL30227242

CC(=O)N[C@@H](CCN1[C@@H]2CC[C@H]1CC(n1c(C)nc3c1CCN(C(=O)C(C)C)C3)C2)c1cccc(F)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Known targets — ChEMBL curated mechanism

The experimentally established mechanism targets of Pf-232798. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 2)

	gene	UniProt	supporting neighbours	confidence
▸	CCR5 known ✓	P51681	12/20	1.00

▸	KCNH2	Q12809	8/20	1.00

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
Pf-232798 SCHEMBL14700573	1.00	CCR5 (1.00)	CCR5KCNH2
Pf-232798 SCHEMBL1049072	1.00	CCR5 (1.00)	CCR5KCNH2
Pf-232798 SCHEMBL1527455	1.00	CCR5 (1.00)	CCR5KCNH2
Pf-232798 SCHEMBL3071187	0.96	CCR5 (0.92)	CCR5KCNH2
Pf-232798 SCHEMBL3075843	0.96	CCR5 (0.92)	CCR5KCNH2
Pf-232798 SCHEMBL3075846	0.96	CCR5 (0.92)	CCR5KCNH2
SCHEMBL30227452	0.94	CCR5 (0.89)	CCR5KCNH2
SCHEMBL3070604	0.94	KCNH2 (1.00)	CCR5KCNH2
SCHEMBL3070606	0.94	KCNH2 (1.00)	CCR5KCNH2
SCHEMBL2575130	0.93	KCNH2 (0.90)	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 1 patent. claimed = in the patent's claims; disclosed = body only.

Patent	Title	Assignee	Published	Priority	Filing	Country	Status
EP-4143235-A1	METHODS AND COMPOSITIONS FOR TREATING CYTOKINE STORM INFECTIONS, INCLUDING COVID-19, BY INHIBITING CCR5/CCL5 INTERACTION	IncellDx, Inc. (US)	2023-03-08	—	—	EP	disclosed