SCHEMBL21781925

CCCNC(=O)C1CCN(CCCC(=O)N[C@H](C(=O)N[C@@H](CCCNC(N)=O)C(=O)Nc2ccc(CNC(=O)[C@@H](NC(=O)[C@H](C)[C@@H](OC)[C@@H]3CCCN3C(=O)C[C@@H](OC)[C@H]([C@@H](C)CC)N(C)C(=O)[C@@H](NC(=O)[C@H](C(C)C)N(C)C)C(C)C)c3nccs3)cc2)C(C)C)C(C(F)(F)F)C1

nearest known ligand 0.45

Predicted protein targets (top 6)

	gene	UniProt	supporting neighbours	confidence
▸	CYP3A4	P08684	1/20	0.45

▸	FOLH1	Q04609	3/20	0.42

▸	TTR	P02766	2/20	0.40

▸	NECTIN4	Q96NY8	1/20	0.35

▸	FAP	Q12884	5/20	0.35

▸	SSTR2	P30874	2/20	0.33

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
SCHEMBL21781737	0.94	CYP3A4 (0.44)	CYP3A4FOLH1TTRNECTIN4FAP
SCHEMBL21782104	0.93	CYP3A4 (0.45)	CYP3A4FOLH1TTRNECTIN4FAP
SCHEMBL21781945	0.92	CYP3A4 (0.50)	CYP3A4FOLH1TTRNECTIN4FAP
SCHEMBL21781935	0.89	CYP3A4 (0.51)	CYP3A4FOLH1TTRNECTIN4FAP
SCHEMBL21781897	0.89	CYP3A4 (0.51)	CYP3A4FOLH1TTRNECTIN4FAP
SCHEMBL21782006	0.89	CYP3A4 (0.51)	CYP3A4FOLH1TTRNECTIN4FAP
SCHEMBL21782034	0.88	CYP3A4 (0.51)	CYP3A4FOLH1TTRNECTIN4FAP
SCHEMBL21782035	0.88	CYP3A4 (0.51)	CYP3A4FOLH1TTRNECTIN4FAP
SCHEMBL21781836	0.88	CYP3A4 (0.52)	CYP3A4FOLH1TTRNECTIN4FAP
SCHEMBL21782105	0.88	CYP3A4 (0.52)	CYP3A4FOLH1TTRNECTIN4FAP

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
EP-3617221-A1	CYTOTOXIN AND CONJUGATE, USES OF SAME, AND PREPARATION METHOD THEREFOR	Sichuan Kelun-Biotech Biopharmaceutical Co., Ltd. (CN)	2020-03-04	—	—	EP	disclosed