SCHEMBL29463759

CC(C)C[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](C)NC(=O)CNC(=O)[C@H](CO)NC(=O)CNC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O

nearest known ligand 0.61

Predicted protein targets (top 15)

	gene	UniProt	supporting neighbours	confidence
▸	KDM1A	O60341	3/20	0.61

▸	F2	P00734	4/20	0.60

▸	CXCR4	P61073	2/20	0.59

▸	MC4R	P32245	1/20	0.59

▸	TFPI	P10646	4/20	0.59

▸	NPY1R	P25929	2/20	0.58

▸	NPY2R	P49146	2/20	0.58

▸	NPY4R	P50391	2/20	0.58

▸	NPY5R	Q15761	2/20	0.58

▸	NMUR2	Q9GZQ4	1/20	0.58

▸	NMUR1	Q9HB89	1/20	0.58

▸	MAOB	P27338	1/20	0.58

▸	KDM5A	P29375	1/20	0.58

▸	KDM1B	Q8NB78	1/20	0.58

▸	CALCR	P30988	3/20	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
SCHEMBL29463740	0.98	MC4R (0.62)	KDM1AF2CXCR4MC4RTFPI
SCHEMBL29463762	0.98	MC4R (0.61)	KDM1AF2CXCR4MC4RTFPI
SCHEMBL9613935	0.95	CXCR4 (0.61)	KDM1AF2CXCR4MC4RTFPI
SCHEMBL31182727	0.91	KDM1A (0.65)	KDM1AF2CXCR4TFPINPY1R
SCHEMBL30433449	0.89	TFPI (0.61)	KDM1ATFPINPY1RNPY2RNPY4R
SCHEMBL1371717	0.88	KDM1A (0.71)	KDM1ACXCR4TFPINPY1RNPY2R
SCHEMBL29771870	0.88	CALCR (0.68)	F2NPY1RNPY2RNPY4RNPY5R
SCHEMBL29771869	0.88	CALCR (0.68)	F2NPY1RNPY2RNPY4RNPY5R
SCHEMBL29771868	0.88	CALCR (0.68)	F2NPY1RNPY2RNPY4RNPY5R
SCHEMBL29575208	0.88	CALCR (0.74)	F2NPY1RNPY2RNPY4RNPY5R

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
CN-111206017-B	Serum-free culture medium for stem cells and application thereof	浙江大学	2022-02-18	—	—	CN	claimed