SCHEMBL7089111

CCNC(=O)N(Cc1cccc(OC)c1Oc1ccc([N+](=O)[O-])cc1C(=O)O)c1ccc(N2CCN(c3cccc(C(F)(F)F)c3)CC2)c(C(F)(F)F)c1

nearest known ligand 0.72

Predicted protein targets (top 13)

	gene	UniProt	supporting neighbours	confidence
▸	SERPINE1	P05121	16/20	0.72

▸	SLC6A9	P48067	1/20	0.42

▸	SLC6A5	Q9Y345	1/20	0.42

▸	MEN1	O00255	1/20	0.41

▸	KMT2A	Q03164	1/20	0.41

▸	TSHR	P16473	2/20	0.39

▸	LMNA	P02545	1/20	0.39

▸	MAPT	P10636	1/20	0.39

▸	HTT	P42858	1/20	0.39

▸	SMN1; SMN2	Q16637	1/20	0.39

▸	KDM4E	B2RXH2	1/20	0.39

▸	ALOX15	P16050	1/20	0.39

▸	TDP1	Q9NUW8	1/20	0.39

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
SCHEMBL7087684	0.84	SERPINE1 (0.68)	SERPINE1SLC6A9SLC6A5MEN1KMT2A
SCHEMBL1421137	0.84	SERPINE1 (1.00)	SERPINE1SLC6A9SLC6A5
SCHEMBL7089118	0.82	SERPINE1 (0.68)	SERPINE1SLC6A9SLC6A5MEN1KMT2A
SCHEMBL7088465	0.79	SERPINE1 (0.80)	SERPINE1MEN1KMT2ATSHRLMNA
SCHEMBL7088443	0.79	SERPINE1 (0.90)	SERPINE1SLC6A9SLC6A5TSHRKDM4E
SCHEMBL7090422	0.77	SERPINE1 (0.73)	SERPINE1MEN1KMT2A
SCHEMBL7087984	0.76	SERPINE1 (0.73)	SERPINE1
SCHEMBL7084535	0.73	SERPINE1 (0.69)	SERPINE1
SCHEMBL7089125	0.72	SERPINE1 (1.00)	SERPINE1SLC6A9SLC6A5
SCHEMBL7088383	0.71	SERPINE1 (0.69)	SERPINE1SLC6A9SLC6A5MEN1KMT2A

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-2003080060-A1	SUBSTITUTED PIPERAZINE ANTITHROMBOTIC PAI-1 INHIBITORS	SCHERING AKTIENGESELLSCHAFT (DE)	2003-10-02	—	—	WO	disclosed