SCHEMBL18854272

CC(=O)N[C@@H](CSSc1ncccc1[N+](=O)[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](Cc1cnc[nH]1)C(=O)N[C@@H](C)C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 3)

	gene	UniProt	supporting neighbours	confidence
▸	GRPR	P30550	18/20	0.49

▸	KISS1R	Q969F8	1/20	0.48

▸	IL23R	Q5VWK5	1/20	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
SCHEMBL18854274	0.93	GRPR (0.53)	GRPR
SCHEMBL18854321	0.90	GRPR (0.50)	GRPRKISS1RIL23R
SCHEMBL18854276	0.90	GHSR (0.47)	GRPR
SCHEMBL18854322	0.85	IL23R (0.60)	GRPRKISS1RIL23R
SCHEMBL18854337	0.83	KISS1R (0.56)	GRPRKISS1RIL23R
SCHEMBL18857385	0.80	GRPR (0.56)	GRPR
SCHEMBL18857723	0.80	KISS1R (0.51)	GRPRKISS1RIL23R
SCHEMBL18857750	0.79	IL23R (0.57)	GRPRKISS1RIL23R
SCHEMBL18862442	0.79	GHSR (0.56)	—
SCHEMBL18854323	0.79	GHSR (0.59)	KISS1R

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
US-20170137801-A1	TISSUE-SPECIFIC GENOME ENGINEERING USING CRISPR-CAS9	THE REGENTS OF THE UNIVERSITY OF CALIFORNIA	2017-05-18	—	—	US	disclosed