SCHEMBL30220503

CC[C@H](C)[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@H](C(=O)N[C@@H](CCCCN)C(=O)O)C(C)C

nearest known ligand 0.66

Predicted protein targets (top 9)

	gene	UniProt	supporting neighbours	confidence
▸	TFPI	P10646	1/20	0.66

▸	VIPR1	P32241	4/20	0.62

▸	GLP1R	P43220	7/20	0.60

▸	ECE1	P42892	1/20	0.60

▸	MUS81	Q96NY9	1/20	0.60

▸	VIPR2	P41587	6/20	0.59

▸	KEAP1	Q14145	1/20	0.57

▸	PTH1R	Q03431	1/20	0.56

▸	CCKBR	P32239	1/20	0.56

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
Nerinetide SCHEMBL29371548	0.97	TFPI (0.65)	TFPIVIPR1GLP1RECE1MUS81
SCHEMBL30974623	0.94	TFPI (0.63)	TFPIVIPR1GLP1RECE1MUS81
SCHEMBL29519384	0.92	TFPI (0.68)	TFPIVIPR1GLP1RECE1MUS81
SCHEMBL30658586	0.92	TFPI (0.67)	TFPIVIPR1GLP1RECE1MUS81
SCHEMBL30695558	0.92	TFPI (0.78)	TFPIVIPR1GLP1RECE1MUS81
SCHEMBL29489273	0.91	TFPI (0.73)	TFPIVIPR1GLP1RECE1MUS81
SCHEMBL30165222	0.91	TFPI (0.61)	TFPIVIPR1VIPR2KEAP1
SCHEMBL30629356	0.91	VIPR1 (0.71)	TFPIVIPR1GLP1RECE1MUS81
SCHEMBL30495775	0.91	VIPR1 (0.70)	TFPIVIPR1GLP1RECE1MUS81
SCHEMBL29387006	0.90	TFPI (0.65)	TFPIVIPR1GLP1RECE1MUS81

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
CN-111777671-B	Long-acting PSD-95 inhibitor	成都奥达生物科技有限公司	2023-06-23	—	—	CN	claimed
CN-111285923-B	PSD-95 inhibitor	成都奥达生物科技有限公司	2023-02-03	—	—	CN	claimed