SCHEMBL30445992

CC[C@H](C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@@H](C)C(=O)NCC(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 12)

	gene	UniProt	supporting neighbours	confidence
▸	CASP3	P42574	2/20	0.39

▸	RAMP1	O60894	1/20	0.39

▸	CALCRL	Q16602	1/20	0.39

▸	FDFT1	P37268	1/20	0.39

▸	PIN1	Q13526	1/20	0.37

▸	F2	P00734	1/20	0.37

▸	OPRD1	P41143	2/20	0.37

▸	OPRM1	P35372	1/20	0.37

▸	ELANE	P08246	1/20	0.37

▸	TLR2	O60603	2/20	0.37

▸	FAP	Q12884	1/20	0.36

▸	NTSR1	P30989	1/20	0.36

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
SCHEMBL30139020	0.93	FDFT1 (0.42)	CASP3FDFT1F2OPRD1OPRM1
SCHEMBL2946630	0.90	FAP (0.40)	CASP3RAMP1CALCRLFDFT1F2
SCHEMBL30139062	0.86	F2 (0.43)	CASP3FDFT1F2OPRD1OPRM1
SCHEMBL29467321	0.84	F2 (0.45)	CASP3FDFT1PIN1F2OPRD1
SCHEMBL5367473	0.82	PTPN1 (0.41)	F2OPRD1NTSR1
SCHEMBL31321048	0.81	REN (0.45)	NTSR1
SCHEMBL5367479	0.81	F2 (0.42)	F2OPRD1NTSR1
SCHEMBL31297111	0.81	TLR2 (0.46)	FDFT1F2TLR2FAP
SCHEMBL27677655	0.80	CASP3 (0.49)	CASP3PIN1TLR2
SCHEMBL2948552	0.80	CASP3 (0.49)	CASP3PIN1TLR2

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
CN-116120403-A	Method for preparing Tirzepatide through solid phase	成都普康唯新生物科技有限公司	2023-05-16	—	—	CN	claimed
CN-116120403-A	Method for preparing Tirzepatide through solid phase	成都普康唯新生物科技有限公司	2023-05-16	—	—	CN	disclosed