SCHEMBL31465334

CC[C@H](C)[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)[C@@H](N)CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)O)C(C)C)C(C)C

nearest known ligand 0.55

Predicted protein targets (top 8)

	gene	UniProt	supporting neighbours	confidence
▸	VIPR1	P32241	4/20	0.54

▸	VIPR2	P41587	6/20	0.50

▸	BACE1	P56817	2/20	0.49

▸	RXFP1	Q9HBX9	2/20	0.48

▸	TFPI	P10646	1/20	0.47

▸	ECE1	P42892	1/20	0.47

▸	GLP1R	P43220	1/20	0.47

▸	MUS81	Q96NY9	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
SCHEMBL29833271	0.95	VIPR1 (0.52)	VIPR1VIPR2BACE1RXFP1TFPI
SCHEMBL31257025	0.95	BACE1 (0.49)	VIPR1VIPR2BACE1
SCHEMBL30483990	0.94	VIPR1 (0.55)	VIPR1VIPR2BACE1RXFP1TFPI
SCHEMBL30662325	0.94	VIPR1 (0.58)	VIPR1VIPR2BACE1RXFP1TFPI
SCHEMBL30712884	0.92	VIPR1 (0.57)	VIPR1VIPR2BACE1RXFP1TFPI
SCHEMBL30122659	0.92	VIPR1 (0.53)	VIPR1VIPR2BACE1RXFP1TFPI
SCHEMBL29405680	0.90	VIPR1 (0.52)	VIPR1VIPR2BACE1RXFP1TFPI
SCHEMBL30183026	0.90	VIPR2 (0.55)	VIPR1VIPR2BACE1
SCHEMBL29453843	0.90	BACE1 (0.52)	VIPR1VIPR2BACE1RXFP1GLP1R
SCHEMBL29972934	0.90	VIPR1 (0.48)	VIPR1VIPR2BACE1RXFP1TFPI

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-12213997-B1	Compositions and methods for supporting nucleus pulposus (NP) cell phenotype and biosynthesis	WASHINGTON UNIVERSITY (US)	2025-02-04	—	—	US	disclosed