SCHEMBL29697211

C[C@H](NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](C)NC(=O)[C@@H](N)[C@@H](C)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@H](C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N1CCC[C@H]1C(=O)O)[C@@H](C)O

nearest known ligand 0.45

Predicted protein targets (top 15)

	gene	UniProt	supporting neighbours	confidence
▸	CALCRL	Q16602	4/20	0.45

▸	CALCR	P30988	4/20	0.45

▸	CTSL	P07711	3/20	0.44

▸	CTSS	P25774	3/20	0.44

▸	CTSK	P43235	3/20	0.44

▸	CTSH	P09668	1/20	0.44

▸	NPY2R	P49146	7/20	0.42

▸	NPY4R	P50391	7/20	0.42

▸	NPY5R	Q15761	7/20	0.42

▸	NPY1R	P25929	5/20	0.42

▸	ITGB3	P05106	1/20	0.42

▸	ITGAV	P06756	1/20	0.42

▸	RAMP1	O60894	1/20	0.41

▸	HCRTR1	O43613	1/20	0.41

▸	HCRTR2	O43614	1/20	0.41

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
SCHEMBL29697219	0.87	CALCRL (0.55)	CALCRLCALCRCTSLCTSSCTSK
SCHEMBL29743008	0.83	CTSL (0.56)	CALCRCTSLCTSSCTSKCTSH
SCHEMBL30724176	0.81	SLC6A2 (0.53)	CALCRNPY2RNPY4RNPY5RNPY1R
SCHEMBL30379969	0.81	CTSL (0.56)	CALCRCTSLCTSSCTSKCTSH
SCHEMBL30262108	0.80	F2 (0.53)	CALCRHCRTR1HCRTR2
SCHEMBL29461562	0.80	F2 (0.46)	CALCRCTSLCTSSCTSKCTSH
SCHEMBL31488462	0.80	CALCRL (0.47)	CALCRLCALCRRAMP1
SCHEMBL31031519	0.79	CALCR (0.55)	CALCRNPY2RNPY4RNPY5RNPY1R
SCHEMBL32689779	0.78	F2 (0.51)	CALCRNPY2RNPY4RNPY5RNPY1R
SCHEMBL30974049	0.78	CALCR (0.50)	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 4 patents. claimed = in the patent's claims; disclosed = body only.

Patent	Title	Assignee	Published	Priority	Filing	Country	Status
US-11851664-B2	Methods for producing biochemicals using enzyme genes derived from a strain of Brevundimonas, and compositions made thereby	Oakbio, Inc. (US)	2023-12-26	—	—	US	disclosed
EP-4267551-A1	METHODS FOR PRODUCING BIOCHEMICALS USING ENZYME GENES DERIVED FROM A STRAIN OF BREVUNDIMONAS, AND COMPOSITIONS MADE THEREBY	Oakbio Inc. (US)	2023-11-01	—	—	EP	disclosed
WO-2022140493-A1	METHODS FOR PRODUCING BIOCHEMICALS USING ENZYME GENES DERIVED FROM A STRAIN OF BREVUNDIMONAS, AND COMPOSITIONS MADE THEREBY	Oakbio, Inc. (US)	2022-06-30	—	—	WO	disclosed
US-20220204979-A1	METHODS FOR PRODUCING BIOCHEMICALS USING ENZYME GENES DERIVED FROM A STRAIN OF BREVUNDIMONAS, AND COMPOSITIONS MADE THEREBY	ARCOLOGY INC. (DBA BIOSPHERE)	2022-06-30	—	—	US	disclosed