SCHEMBL31504149

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

nearest known ligand 0.68

Predicted protein targets (top 13)

	gene	UniProt	supporting neighbours	confidence
▸	CALCR	P30988	5/20	0.67

▸	GLP1R	P43220	3/20	0.62

▸	CRHR1	P34998	1/20	0.62

▸	CRHR2	Q13324	1/20	0.62

▸	TFPI	P10646	4/20	0.60

▸	APLNR	P35414	1/20	0.60

▸	KDM1A	O60341	2/20	0.60

▸	RAMP1	O60894	1/20	0.59

▸	RAMP2	O60895	1/20	0.59

▸	RAMP3	O60896	1/20	0.59

▸	CALCRL	Q16602	1/20	0.59

▸	GCGR	P47871	2/20	0.59

▸	KEAP1	Q14145	1/20	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
SCHEMBL31464902	0.99	CALCR (0.69)	CALCRGLP1RCRHR1CRHR2TFPI
SCHEMBL31464899	0.99	CALCR (0.69)	CALCRGLP1RCRHR1CRHR2TFPI
SCHEMBL31504148	0.98	CALCR (0.66)	CALCRGLP1RCRHR1CRHR2TFPI
SCHEMBL29771870	0.97	CALCR (0.68)	CALCRGLP1RCRHR1CRHR2APLNR
SCHEMBL29771869	0.97	CALCR (0.68)	CALCRGLP1RCRHR1CRHR2APLNR
SCHEMBL29771868	0.97	CALCR (0.68)	CALCRGLP1RCRHR1CRHR2APLNR
SCHEMBL31464889	0.96	KDM1A (0.65)	CALCRGLP1RCRHR1CRHR2TFPI
SCHEMBL31504147	0.95	CALCR (0.71)	CALCRGLP1RCRHR1CRHR2TFPI
SCHEMBL31464901	0.91	KDM1A (0.63)	CALCRTFPIAPLNRKDM1ARAMP1
SCHEMBL29868596	0.90	CALCR (0.69)	CALCRGLP1RTFPIKDM1ARAMP1

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-119823253-A	Shf analogues, pharmaceutical compositions for preventing and/or treating tumors and application	无锡市人民医院	2025-04-15	—	—	CN	disclosed