SCHEMBL18790634

CC[C@H](NC(=O)CNC(=O)CNC(=O)CCCCCNC(=O)CCCCCN)C(=O)NCC(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(N)=O)C(=O)NCC(=O)NCC(=O)NC(C(=O)NCC(N)=O)C(C)C

nearest known ligand 0.53

Predicted protein targets (top 4)

	gene	UniProt	supporting neighbours	confidence
▸	GLP1R	P43220	4/20	0.53

▸	TFPI	P10646	1/20	0.53

▸	NPBWR1	P48145	13/20	0.52

▸	CD40	P25942	2/20	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
SCHEMBL22435589	0.88	OPRD1 (0.52)	TFPI
SCHEMBL18790633	0.81	TFPI (0.60)	GLP1RTFPINPBWR1
SCHEMBL16922391	0.78	TFPI (0.65)	GLP1RTFPI
SCHEMBL30437374	0.77	TFPI (0.63)	GLP1RTFPI
SCHEMBL14479364	0.77	GRIA1 (0.54)	NPBWR1CD40
SCHEMBL30712924	0.77	TFPI (0.61)	TFPI
SCHEMBL26428962	0.76	GRIA1 (0.54)	NPBWR1
SCHEMBL26080282	0.76	F2 (0.50)	GLP1RNPBWR1
SCHEMBL14479394	0.76	GRIA1 (0.55)	CD40
SCHEMBL17166399	0.76	GRIA1 (0.55)	CD40

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
US-10670605-B2	Cysteine reactive probes and uses thereof	THE SCRIPPS RESEARCH INSTITUTE (US)	2020-06-02	—	—	US	disclosed
US-20170115303-A1	CYSTEINE REACTIVE PROBES AND USES THEREOF	THE SCRIPPS RESEARCH INSTITUTE	2017-04-27	—	—	US	disclosed