SCHEMBL9613935

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]1CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](C)NC(=O)CNC(=O)[C@H](CO)NC(=O)CNC(=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)N[C@@H](CS)C(=O)O

nearest known ligand 0.61

Predicted protein targets (top 10)

	gene	UniProt	supporting neighbours	confidence
▸	CXCR4	P61073	2/20	0.61

▸	MC4R	P32245	1/20	0.59

▸	CALCR	P30988	4/20	0.58

▸	HCRTR1	O43613	1/20	0.58

▸	HCRTR2	O43614	1/20	0.58

▸	KDM1A	O60341	2/20	0.57

▸	TFPI	P10646	3/20	0.57

▸	F2	P00734	3/20	0.57

▸	GLP1R	P43220	3/20	0.56

▸	GCGR	P47871	3/20	0.56

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
SCHEMBL29463762	0.98	MC4R (0.61)	CXCR4MC4RKDM1ATFPIF2
SCHEMBL29463740	0.97	MC4R (0.62)	CXCR4MC4RKDM1ATFPIF2
SCHEMBL29463759	0.95	KDM1A (0.61)	CXCR4MC4RCALCRKDM1ATFPI
SCHEMBL31182727	0.91	KDM1A (0.65)	CXCR4CALCRHCRTR1HCRTR2KDM1A
SCHEMBL30433449	0.89	TFPI (0.61)	KDM1ATFPIGLP1RGCGR
SCHEMBL29575208	0.88	CALCR (0.74)	CALCRHCRTR1HCRTR2F2GLP1R
SCHEMBL1371717	0.85	KDM1A (0.71)	CXCR4KDM1ATFPI
SCHEMBL29855908	0.84	MC4R (0.68)	CXCR4MC4RTFPIF2
SCHEMBL30607457	0.84	CALCR (0.65)	MC4RCALCRHCRTR1HCRTR2F2
SCHEMBL31167611	0.84	CALCR (0.71)	CALCRTFPIF2GLP1RGCGR

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 3 patents. claimed = in the patent's claims; disclosed = body only.

Patent	Title	Assignee	Published	Priority	Filing	Country	Status
EP-0364481-A4	GROWTH FACTORS	—	1992-01-22	—	—	EP	disclosed
EP-0364481-A1	GROWTH FACTORS	MONASH UNIVERSITY (AU)	1990-04-25	—	—	EP	disclosed
WO-1988010269-A1	GROWTH FACTORS	MONASH UNIVERSITY (AU)	1988-12-29	—	—	WO	disclosed