SCHEMBL29856457

CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)CN)[C@@H](C)O)C(C)C)[C@@H](C)O)C(C)C)C(=O)O

nearest known ligand 0.57

Predicted protein targets (top 10)

	gene	UniProt	supporting neighbours	confidence
▸	CALCR	P30988	7/20	0.57

▸	F2	P00734	4/20	0.53

▸	APLNR	P35414	1/20	0.51

▸	HCRTR1	O43613	1/20	0.50

▸	HCRTR2	O43614	1/20	0.50

▸	C5AR1	P21730	1/20	0.50

▸	CRHR1	P34998	1/20	0.49

▸	CRHR2	Q13324	1/20	0.49

▸	FCGRT	P55899	2/20	0.49

▸	RAMP3	O60896	2/20	0.49

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
SCHEMBL30906471	0.92	CALCR (0.66)	CALCRF2HCRTR1HCRTR2C5AR1
SCHEMBL38662213	0.92	CALCR (0.60)	CALCRF2APLNRHCRTR1HCRTR2
SCHEMBL29695449	0.88	GLP1R (0.58)	CALCRC5AR1
SCHEMBL30483842	0.86	CALCR (0.55)	CALCRF2APLNRHCRTR1HCRTR2
SCHEMBL31664366	0.85	CALCR (0.66)	CALCRF2HCRTR1HCRTR2C5AR1
SCHEMBL31664360	0.85	CALCR (0.66)	CALCRF2HCRTR1HCRTR2C5AR1
SCHEMBL30576961	0.85	RAMP3 (0.59)	CALCRAPLNRC5AR1RAMP3
SCHEMBL30350809	0.85	CALCR (0.49)	CALCRF2HCRTR1HCRTR2C5AR1
SCHEMBL30906336	0.85	GLP1R (0.61)	CALCRC5AR1
SCHEMBL31683361	0.84	CALCR (0.60)	CALCRF2APLNRC5AR1CRHR1

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
WO-2022136555-A9	IMPROVED CD30 TARGETING ANTIBODY DRUG CONJUGATES AND USES THEREOF	LUDWIG-MAXIMILIANS-UNIVERSITAET MUENCHEN (DE)	2022-09-22	—	—	WO	disclosed