SCHEMBL29726735

CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@@H](N)CCCNC(=N)N)C(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(N)=O)[C@@H](C)O)[C@@H](C)CC)C(C)C

nearest known ligand 0.74

Predicted protein targets (top 10)

	gene	UniProt	supporting neighbours	confidence
▸	EP300	Q09472	1/20	0.67

▸	HIF1A	Q16665	1/20	0.67

▸	NPY2R	P49146	8/20	0.64

▸	NPY4R	P50391	8/20	0.64

▸	NPY5R	Q15761	8/20	0.64

▸	NPY1R	P25929	6/20	0.64

▸	CALCR	P30988	4/20	0.63

▸	RAMP3	O60896	3/20	0.63

▸	TFPI	P10646	3/20	0.63

▸	GLP1R	P43220	1/20	0.61

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
SCHEMBL31182683	0.93	NPY2R (0.71)	EP300HIF1ANPY2RNPY4RNPY5R
SCHEMBL30432066	0.93	EP300 (0.67)	EP300HIF1ANPY2RNPY4RNPY5R
SCHEMBL31182678	0.91	NPY2R (0.63)	EP300HIF1ANPY2RNPY4RNPY5R
SCHEMBL30658303	0.90	NPY2R (0.68)	EP300HIF1ANPY2RNPY4RNPY5R
SCHEMBL30335483	0.90	NPY2R (0.64)	EP300HIF1ANPY2RNPY4RNPY5R
SCHEMBL29562124	0.90	NPY2R (0.67)	EP300HIF1ANPY2RNPY4RNPY5R
SCHEMBL31000870	0.89	MAPK8 (0.67)	EP300HIF1ANPY2RNPY4RNPY5R
SCHEMBL30432021	0.89	NPY2R (0.68)	EP300HIF1ANPY2RNPY4RNPY5R
SCHEMBL22263594	0.89	NPY2R (0.67)	EP300HIF1ANPY2RNPY4RNPY5R
SCHEMBL30906574	0.89	NPY2R (0.66)	EP300HIF1ANPY2RNPY4RNPY5R

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-2022147897-A1	USE OF RXFP1/3 INHIBITOR IN PREPARATION OF MEDICATION FOR PREVENTING OR TREATING ADOLESCENT IDIOPATHIC SCOLIOSIS DISEASE	张莉	2022-07-14	—	—	WO	disclosed