SCHEMBL29425250

CCNC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](CCCCN)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H]1CCC(=O)N1

nearest known ligand 0.70

Predicted protein targets (top 6)

	gene	UniProt	supporting neighbours	confidence
▸	GNRHR	P30968	1/20	0.70

▸	ABCC2	Q92887	1/20	0.69

▸	PTGS1	P23219	1/20	0.65

▸	C5AR1	P21730	2/20	0.63

▸	APLNR	P35414	5/20	0.59

▸	CXCR4	P61073	3/20	0.56

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
SCHEMBL29750348	0.97	GNRHR (0.74)	GNRHRABCC2PTGS1C5AR1APLNR
SCHEMBL29833896	0.97	GNRHR (0.74)	GNRHRABCC2PTGS1C5AR1APLNR
SCHEMBL28690690	0.97	GNRHR (0.74)	GNRHRABCC2PTGS1C5AR1APLNR
Leuprolide SCHEMBL25418953	0.97	GNRHR (0.74)	GNRHRABCC2PTGS1C5AR1APLNR
Leuprolide SCHEMBL14190828	0.97	GNRHR (0.74)	GNRHRABCC2PTGS1C5AR1APLNR
Deslorelin SCHEMBL25353366	0.97	GNRHR (0.74)	GNRHRABCC2PTGS1C5AR1APLNR
Deslorelin SCHEMBL29350981	0.97	GNRHR (0.74)	GNRHRABCC2PTGS1C5AR1APLNR
Deslorelin SCHEMBL59413	0.97	GNRHR (0.74)	GNRHRABCC2PTGS1C5AR1APLNR
Leuprolide SCHEMBL172917	0.97	GNRHR (0.74)	GNRHRABCC2PTGS1C5AR1APLNR
SCHEMBL29588982	0.97	GNRHR (0.74)	GNRHRABCC2PTGS1C5AR1APLNR

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-20220211860-A1	PEPTIDE DERIVATIVES AND CONJUGATES THEREOF FOR TREATING CANCER	THE UNIVERSITY OF SYDNEY (AU)	2022-07-07	—	—	US	disclosed
EP-3962927-A1	PEPTIDE DERIVATIVES AND CONJUGATES THEREOF FOR TREATING CANCER	The University of Sydney (AU)	2022-03-09	—	—	EP	disclosed