SCHEMBL14822780

CC(C)CC(NC(=O)[C@@H](NC(=O)C(CC(N)=O)NC(=O)[C@H](CO)NC(=O)C(CO)NC(=O)[C@H](CC(=O)O)NC(=O)C(Cc1ccccc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)C(CS)NN)C(C)C)C(=O)N[C@@H](CS)C(=O)NC(CCCCN)C(=O)N[C@@H](CCCCN)C(=O)NC(Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NC(CO)C(=O)O

nearest known ligand 0.62

Predicted protein targets (top 9)

	gene	UniProt	supporting neighbours	confidence
▸	TFPI	P10646	1/20	0.62

▸	VIPR1	P32241	3/20	0.55

▸	KDM1A	O60341	2/20	0.54

▸	IL23R	Q5VWK5	2/20	0.54

▸	KISS1R	Q969F8	9/20	0.53

▸	VIPR2	P41587	3/20	0.52

▸	GLP1R	P43220	1/20	0.52

▸	GCGR	P47871	1/20	0.52

▸	GIPR	P48546	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
SCHEMBL15235440	1.00	TFPI (0.62)	TFPIVIPR1KDM1AIL23RKISS1R
SCHEMBL15235437	0.99	TFPI (0.62)	TFPIVIPR1KDM1AIL23RKISS1R
SCHEMBL13540733	0.96	TFPI (0.65)	TFPIVIPR1KDM1AKISS1RVIPR2
SCHEMBL15471608	0.96	TFPI (0.65)	TFPIVIPR1KDM1AKISS1RVIPR2
SCHEMBL13540742	0.96	TFPI (0.65)	TFPIVIPR1KDM1AKISS1RVIPR2
SCHEMBL15471609	0.95	TFPI (0.69)	TFPIVIPR1IL23R
SCHEMBL15235448	0.95	NPY4R (0.56)	TFPIKISS1R
SCHEMBL13540751	0.95	NPY4R (0.56)	TFPIKISS1R
SCHEMBL15471603	0.94	TFPI (0.66)	TFPIVIPR1KDM1AIL23RVIPR2
SCHEMBL13540736	0.94	TFPI (0.68)	TFPIVIPR1KDM1AKISS1RVIPR2

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-8410246-B2	TDF-related compounds and analogs thereof	THRASOS, INC. (US)	2013-04-02	—	—	US	disclosed