SCHEMBL29496391

CC(C)C[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)C(C)C

nearest known ligand 0.72

Predicted protein targets (top 8)

	gene	UniProt	supporting neighbours	confidence
▸	NPY2R	P49146	8/20	0.72

▸	NPY4R	P50391	8/20	0.72

▸	NPY5R	Q15761	8/20	0.72

▸	NPY1R	P25929	6/20	0.72

▸	TFPI	P10646	5/20	0.67

▸	CALCR	P30988	4/20	0.66

▸	GLP1R	P43220	1/20	0.63

▸	GCGR	P47871	1/20	0.63

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
SCHEMBL29496288	0.97	NPY2R (0.74)	NPY2RNPY4RNPY5RNPY1RTFPI
SCHEMBL29397746	0.97	NPY2R (0.73)	NPY2RNPY4RNPY5RNPY1RTFPI
SCHEMBL29526997	0.96	NPY2R (0.72)	NPY2RNPY4RNPY5RNPY1RTFPI
SCHEMBL13248707	0.95	NPY2R (0.80)	NPY2RNPY4RNPY5RNPY1RTFPI
SCHEMBL31362091	0.94	CRHR1 (0.69)	NPY2RNPY4RNPY5RNPY1RCALCR
Human Neuropeptide Y SCHEMBL29523348	0.94	CALCR (0.72)	NPY2RNPY4RNPY5RNPY1RCALCR
SCHEMBL29854496	0.93	NPY2R (0.68)	NPY2RNPY4RNPY5RNPY1RTFPI
SCHEMBL29571016	0.93	NPY2R (0.70)	NPY2RNPY4RNPY5RNPY1RCALCR
SCHEMBL30818412	0.92	CALCR (0.69)	NPY2RNPY4RNPY5RNPY1RTFPI
SCHEMBL30818413	0.92	CALCR (0.69)	NPY2RNPY4RNPY5RNPY1RTFPI

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-20220119772-A1	COMPOSITIONS AND METHODS FOR TREATMENT OF A MALABSORPTIVE DISORDER	CHILDRENS HOSPITAL MED CT (US)	2022-04-21	—	—	US	disclosed