SCHEMBL29414623

CC(C)[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)CN)C(=O)N[C@H](C(=O)NCC(=O)NCC(=O)N[C@@H](CS)C(=O)NCC(=O)NCC(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C)C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C)C(N)=O)C(C)C)C(C)C)C(C)C

nearest known ligand 0.52

Predicted protein targets (top 4)

	gene	UniProt	supporting neighbours	confidence
▸	TFPI	P10646	1/20	0.52

▸	RXFP1	Q9HBX9	2/20	0.50

▸	GRPR	P30550	1/20	0.47

▸	IL23R	Q5VWK5	11/20	0.47

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
SCHEMBL30844355	0.87	RXFP1 (0.52)	TFPIRXFP1GRPRIL23R
SCHEMBL29414583	0.87	IL23R (0.45)	TFPIRXFP1IL23R
SCHEMBL29939729	0.84	TFPI (0.55)	TFPIRXFP1GRPRIL23R
SCHEMBL30844336	0.84	RXFP1 (0.54)	TFPIRXFP1IL23R
SCHEMBL30974358	0.83	TFPI (0.57)	TFPIRXFP1GRPR
SCHEMBL30788358	0.82	IL23R (0.47)	TFPIRXFP1IL23R
SCHEMBL30942619	0.82	IL23R (0.48)	TFPIRXFP1IL23R
SCHEMBL30099501	0.81	RXFP1 (0.48)	TFPIRXFP1IL23R
SCHEMBL29455880	0.81	TFPI (0.53)	TFPIRXFP1IL23R
SCHEMBL30437367	0.81	TFPI (0.56)	TFPIRXFP1

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-3967323-A2	HIV VACCINE	Bionor Immuno AS (NO)	2022-03-16	—	—	EP	disclosed