SCHEMBL7084622

SCHEMBL7084622

O=C(O)C1CCN(c2cc(N3CCN(c4ccc(C(F)(F)F)cn4)CC3)c([N+](=O)[O-])cc2C(F)(F)F)CC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SERPINE1 P05121 9/20 1.00
KDM4E B2RXH2 1/20 0.53
ABL1 P00519 1/20 0.53
LMNA P02545 1/20 0.53
CYP2C9 P11712 2/20 0.53
CYP2C19 P33261 2/20 0.53
POLB P06746 1/20 0.53
MAPT P10636 2/20 0.52
CYP1A2 P05177 1/20 0.52
CYP3A4 P08684 1/20 0.52
CYP2D6 P10635 1/20 0.52
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
TDP1 Q9NUW8 1/20 0.48
ALDH1A1 P00352 2/20 0.48
HSD11B1 P28845 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
FFAR2 O15552 1/20 0.46

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
SCHEMBL7088169 0.86 SERPINE1 (1.00) SERPINE1CYP2C9CYP2C19POLBMAPT
SCHEMBL7084123 0.83 SERPINE1 (0.82) SERPINE1LMNACYP2C9CYP2C19POLB
SCHEMBL7084109 0.82 SERPINE1 (0.82) SERPINE1CYP2C9CYP2C19POLBMAPT
SCHEMBL7091396 0.81 SERPINE1 (1.00) SERPINE1LMNAMAPTL3MBTL1
SCHEMBL31381261 0.81 LMNA (0.78) SERPINE1KDM4EABL1LMNAMAPT
SCHEMBL327492 0.81 LMNA (0.78) SERPINE1KDM4EABL1LMNAMAPT
SCHEMBL7084175 0.80 SERPINE1 (0.77) SERPINE1CYP2C9CYP2C19POLBMAPT
SCHEMBL2039548 0.78 MAPT (0.80) SERPINE1LMNACYP2C9CYP2C19POLB
SCHEMBL29788183 0.78 MAPT (0.80) SERPINE1LMNACYP2C9CYP2C19POLB
SCHEMBL7165057 0.78 SERPINE1 (1.00) SERPINE1CYP2C9CYP2C19POLBMAPT

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