SCHEMBL18857385

CC(=O)NC(CSSc1ccc(N(O)O)cn1)C(=O)NCCOCCOCCOCCOCCC(=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)NC(CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)NC(Cc1cnc[nH]1)C(=O)N[C@@H](CC(C)C)C(=O)NC(CC(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)NC(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)NC(CC(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](C)C(=O)O

nearest known ligand 0.56

Predicted protein targets (top 2)

	gene	UniProt	supporting neighbours	confidence
▸	GRPR	P30550	19/20	0.56

▸	CXCR4	P61073	1/20	0.52

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
SCHEMBL18857406	0.88	CXCR4 (0.58)	GRPRCXCR4
SCHEMBL18854274	0.88	GRPR (0.53)	GRPRCXCR4
SCHEMBL18857392	0.85	CXCR4 (0.64)	GRPRCXCR4
SCHEMBL18854321	0.84	GRPR (0.50)	GRPR
SCHEMBL18854322	0.80	IL23R (0.60)	GRPR
SCHEMBL18854272	0.80	GRPR (0.49)	GRPR
SCHEMBL18857383	0.80	CXCR4 (0.52)	GRPRCXCR4
SCHEMBL18854337	0.79	KISS1R (0.56)	GRPR
SCHEMBL18857750	0.77	IL23R (0.57)	GRPR
SCHEMBL18854327	0.76	REN (0.55)	GRPRCXCR4

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

Patent	Title	Assignee	Published	Priority	Filing	Country	Status
WO-2017083368-A9	TISSUE-SPECIFIC GENOME ENGINEERING USING CRISPR-CAS9	PFIZER INC. (US)	2018-04-12	—	—	WO	disclosed
WO-2017083368-A1	TISSUE-SPECIFIC GENOME ENGINEERING USING CRISPR-CAS9	PFIZER INC. (US)	2017-05-18	—	—	WO	disclosed