SCHEMBL18857723

C#CC[C@H](NC(C)=O)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC1=CNCN1)C(=O)N[C@@H](C)C(=O)O

nearest known ligand 0.51

Predicted protein targets (top 5)

	gene	UniProt	supporting neighbours	confidence
▸	KISS1R	Q969F8	1/20	0.51

▸	GRPR	P30550	13/20	0.50

▸	IL23R	Q5VWK5	1/20	0.49

▸	NR3C1	P04150	2/20	0.48

▸	SLC2A1	P11166	2/20	0.47

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
SCHEMBL18854337	0.95	KISS1R (0.56)	KISS1RGRPRIL23RNR3C1SLC2A1
SCHEMBL18854322	0.87	IL23R (0.60)	KISS1RGRPRIL23RNR3C1
SCHEMBL18857765	0.83	GHSR (0.51)	GRPR
SCHEMBL18857750	0.82	IL23R (0.57)	KISS1RGRPRIL23RNR3C1SLC2A1
SCHEMBL18862442	0.82	GHSR (0.56)	—
SCHEMBL18854323	0.81	GHSR (0.59)	KISS1R
SCHEMBL18862462	0.81	REN (0.66)	KISS1RGRPR
SCHEMBL18862461	0.80	CDYL2 (0.44)	—
SCHEMBL18857406	0.80	CXCR4 (0.58)	GRPRIL23R
SCHEMBL18854272	0.80	GRPR (0.49)	KISS1RGRPRIL23R

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-2017083368-A1	TISSUE-SPECIFIC GENOME ENGINEERING USING CRISPR-CAS9	PFIZER INC. (US)	2017-05-18	—	—	WO	disclosed