SCHEMBL30200345

CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)CN)C(C)C)C(C)C)[C@@H](C)O)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CC(=O)O)C(=O)NCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](C(=O)N[C@@H](CS)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](C(=O)NCC(=O)O)[C@@H](C)O)C(C)C)C(C)C)[C@@H](C)O)[C@@H](C)O

nearest known ligand 0.69

Predicted protein targets (top 9)

	gene	UniProt	supporting neighbours	confidence
▸	CALCR	P30988	4/20	0.69

▸	NPY2R	P49146	8/20	0.61

▸	NPY4R	P50391	8/20	0.61

▸	NPY5R	Q15761	8/20	0.61

▸	NPY1R	P25929	6/20	0.61

▸	HCRTR1	O43613	1/20	0.61

▸	HCRTR2	O43614	1/20	0.61

▸	F2	P00734	4/20	0.60

▸	IL23R	Q5VWK5	1/20	0.58

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
SCHEMBL30952009	0.98	CALCR (0.68)	CALCRNPY2RNPY4RNPY5RNPY1R
SCHEMBL30862318	0.97	CALCR (0.69)	CALCRNPY2RNPY4RNPY5RNPY1R
SCHEMBL29652674	0.96	CALCR (0.73)	CALCRNPY2RNPY4RNPY5RNPY1R
SCHEMBL29494575	0.92	CALCR (0.76)	CALCRNPY2RNPY4RNPY5RNPY1R
SCHEMBL30686827	0.92	CALCR (0.76)	CALCRNPY2RNPY4RNPY5RNPY1R
SCHEMBL30686820	0.92	CALCR (0.76)	CALCRNPY2RNPY4RNPY5RNPY1R
SCHEMBL31744322	0.91	CALCR (0.77)	CALCRNPY2RNPY4RNPY5RNPY1R
SCHEMBL30598158	0.91	CALCR (0.70)	CALCRNPY2RNPY4RNPY5RNPY1R
SCHEMBL30862323	0.91	NPY2R (0.60)	CALCRNPY2RNPY4RNPY5RNPY1R
SCHEMBL29783628	0.90	CALCR (0.77)	CALCRNPY2RNPY4RNPY5RNPY1R

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
US-20230065562-A1	DUAL CONTROLS FOR THERAPEUTIC CELL ACTIVATION OR ELIMINATION	BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM	2023-03-02	—	—	US	disclosed