SCHEMBL29856017

CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H](N)Cc1c[nH]c2ccccc12)C(C)C)C(=O)O

nearest known ligand 0.57

Predicted protein targets (top 6)

	gene	UniProt	supporting neighbours	confidence
▸	ERBB2	P04626	1/20	0.57

▸	KISS1R	Q969F8	5/20	0.55

▸	NPBWR1	P48145	1/20	0.53

▸	BACE1	P56817	8/20	0.52

▸	ERAP2	Q6P179	1/20	0.51

▸	CTSD	P07339	1/20	0.51

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
SCHEMBL29684075	0.94	ERAP2 (0.58)	KISS1RNPBWR1BACE1ERAP2CTSD
SCHEMBL30974407	0.89	ERBB2 (0.57)	ERBB2KISS1RNPBWR1
SCHEMBL30874407	0.88	ERAP2 (0.58)	KISS1RNPBWR1ERAP2
SCHEMBL30637759	0.87	EDNRA (0.59)	ERBB2KISS1RNPBWR1ERAP2
SCHEMBL29409593	0.87	KISS1R (0.60)	KISS1R
SCHEMBL30637751	0.87	EDNRA (0.59)	ERBB2KISS1RNPBWR1ERAP2
SCHEMBL30637752	0.87	EDNRA (0.59)	ERBB2KISS1RNPBWR1ERAP2
SCHEMBL30906386	0.86	GLP1R (0.61)	KISS1RNPBWR1
SCHEMBL30185726	0.86	ERAP2 (0.59)	KISS1RERAP2
SCHEMBL31004384	0.86	ERAP2 (0.61)	ERAP2

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
WO-2022136555-A9	IMPROVED CD30 TARGETING ANTIBODY DRUG CONJUGATES AND USES THEREOF	LUDWIG-MAXIMILIANS-UNIVERSITAET MUENCHEN (DE)	2022-09-22	—	—	WO	disclosed