SCHEMBL7087964

SCHEMBL7087964

O=C(O)C1CCN(c2cc(N3CCN(C(=O)Nc4cccc(C(F)(F)F)c4)CC3)c([N+](=O)[O-])cc2C(F)(F)F)CC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SERPINE1 P05121 11/20 1.00
MAPT P10636 3/20 0.59
NPSR1 Q6W5P4 2/20 0.59
GAA P10253 1/20 0.51
MAPK1 P28482 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
LMNA P02545 2/20 0.50
KMT2A Q03164 2/20 0.50
ALDH1A1 P00352 1/20 0.50
PKM P14618 1/20 0.50
MEN1 O00255 1/20 0.49
GOT1 P17174 1/20 0.49
HTT P42858 1/20 0.49
POLB P06746 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48

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.

Compoundsimilaritytop predictedshared targets
SCHEMBL7085406 0.87 SERPINE1 (0.77) SERPINE1MAPTNPSR1GAAMAPK1
SCHEMBL7087924 0.85 SERPINE1 (0.75) SERPINE1MAPTNPSR1GAALMNA
SCHEMBL7089079 0.85 SERPINE1 (0.74) SERPINE1MAPTNPSR1GAAMAPK1
SCHEMBL7091396 0.85 SERPINE1 (1.00) SERPINE1MAPTL3MBTL1LMNAHTT
SCHEMBL7089371 0.82 SERPINE1 (0.72) SERPINE1MAPTKMT2AALDH1A1MEN1
SCHEMBL7165057 0.81 SERPINE1 (1.00) SERPINE1MAPTPOLBCYP2C9CYP2C19
SCHEMBL7084123 0.81 SERPINE1 (0.82) SERPINE1MAPTNPSR1MAPK1LMNA
SCHEMBL7088169 0.80 SERPINE1 (1.00) SERPINE1MAPTKMT2AALDH1A1MEN1
SCHEMBL7087663 0.79 SERPINE1 (0.89) SERPINE1MAPTL3MBTL1LMNAHTT
SCHEMBL7090213 0.77 SERPINE1 (0.65) SERPINE1MAPTKMT2APOLBCYP2C9

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.

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