Cyclosporine

SCHEMBL8034888

C/C=C/C[C@@H](C)[C@@H](O)[C@H]1C(=O)N[C@@H](CC)C(=O)N(C)CC(=O)N(C)[C@@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)N(C)[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@H](C)C(=O)N(C)[C@@H](CC(C)C)C(=O)N(C)[C@@H](CC(C)C)C(=O)N(C)[C@@H](C(C)C)C(=O)N1C.Cc1c(O)cccc1C(=O)N[C@@H](CSc1ccccc1)[C@H](O)CN1C[C@H]2CCCC[C@H]2C[C@H]1C(=O)NC(C)(C)C

nearest known ligand 0.56

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

PPIA

The experimentally established mechanism targets of Cyclosporine. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

	gene	UniProt	supporting neighbours	confidence
▸	PPIA known ✓	P62937	5/20	0.56

▸	ABCB1	P08183	11/20	0.56

▸	PPP3CA	Q08209	4/20	0.56

▸	FKBP1B	P68106	3/20	0.56

▸	CYP3A4	P08684	3/20	0.56

▸	SMN1; SMN2	Q16637	3/20	0.56

▸	ABCB11	O95342	2/20	0.56

▸	CYP3A5	P20815	2/20	0.56

▸	TACR2	P21452	2/20	0.56

▸	ABCG2	Q9UNQ0	2/20	0.56

▸	MEN1	O00255	1/20	0.56

▸	NPC1	O15118	1/20	0.56

▸	ABCC3	O15438	1/20	0.56

▸	GMNN	O75496	1/20	0.56

▸	USP2	O75604	1/20	0.56

▸	SLCO2B1	O94956	1/20	0.56

▸	LMNA	P02545	1/20	0.56

▸	POLB	P06746	1/20	0.56

▸	MAPT	P10636	1/20	0.56

▸	RARB	P10826	1/20	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
Cyclosporine SCHEMBL1653706	0.76	ABCB1 (0.87)	ABCB1PPIAPPP3CAFKBP1BCYP3A4
Cyclosporine SCHEMBL1653705	0.76	ABCB1 (0.87)	ABCB1PPIAPPP3CAFKBP1BCYP3A4
Cyclosporine SCHEMBL8713001	0.75	ABCB1 (0.94)	ABCB1PPIAPPP3CAFKBP1BCYP3A4
Cyclosporine SCHEMBL8713005	0.75	ABCB1 (0.94)	ABCB1PPIAPPP3CAFKBP1BCYP3A4
Cyclosporine SCHEMBL4534873	0.75	ABCB1 (0.99)	ABCB1PPIAPPP3CAFKBP1BCYP3A4
Cyclosporine SCHEMBL4538899	0.75	ABCB1 (0.99)	ABCB1PPIAPPP3CAFKBP1BCYP3A4
Cyclosporine SCHEMBL4534877	0.75	ABCB1 (0.99)	ABCB1PPIAPPP3CAFKBP1BCYP3A4
Cyclosporine SCHEMBL2973383	0.75	ABCB1 (0.95)	ABCB1PPIAPPP3CAFKBP1BCYP3A4
Cyclosporine SCHEMBL2973381	0.75	ABCB1 (0.95)	ABCB1PPIAPPP3CAFKBP1BCYP3A4
Cyclosporine SCHEMBL24224445	0.75	ABCB1 (1.00)	ABCB1PPIAPPP3CAFKBP1BCYP3A4

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 4 patents. claimed = in the patent's claims; disclosed = body only.

Patent	Title	Assignee	Published	Priority	Filing	Country	Status
US-6162479-A	Anti-first-pass effect compounds	BIOAVAILABILITY SYSTEMS, LLC (US)	2000-12-19	—	—	US	disclosed
US-6124477-A	Anti-first-pass effect compounds	BIOAVAILABILITY SYSTEMS, LLC (US)	2000-09-26	—	—	US	disclosed
US-6063809-A	Anti-first-pass effect compounds	BIOAVAILABILITY SYSTEMS, LLC (US)	2000-05-16	—	—	US	disclosed
US-6054477-A	Anti-first-pass effect compounds	BIOAVAILABILITY SYSTEMS, LLC (US)	2000-04-25	—	—	US	disclosed