SCHEMBL7091878

SCHEMBL7091878

O=C(O)c1ccc(Oc2ccc(C(F)(F)F)cc2CNc2ccc(N3CCN(c4cccc(C(F)(F)F)c4)CC3)cc2C(F)(F)F)cc1

nearest known ligand 0.56

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SERPINE1 P05121 14/20 0.56
ENPP2 Q13822 2/20 0.45
PTGDR2 Q9Y5Y4 1/20 0.42
POLB P06746 1/20 0.42
LMNA P02545 2/20 0.41
MAPT P10636 1/20 0.41
HTT P42858 1/20 0.41
GAA P10253 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HSD17B10 Q99714 1/20 0.41

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
SCHEMBL7087862 0.90 SERPINE1 (0.58) SERPINE1ENPP2
SCHEMBL7163081 0.84 SERPINE1 (0.54) SERPINE1ENPP2
SCHEMBL7084122 0.83 SERPINE1 (0.53) SERPINE1ENPP2POLB
SCHEMBL7087880 0.78 SERPINE1 (0.57) SERPINE1ENPP2
SCHEMBL7090999 0.77 SERPINE1 (0.79) SERPINE1POLBLMNAMAPTHTT
SCHEMBL7088384 0.77 SERPINE1 (0.56) SERPINE1ENPP2LMNAMAPTSMN1; SMN2
SCHEMBL30883140 0.74 SERPINE1 (0.61) SERPINE1ENPP2POLBLMNAMAPT
SCHEMBL7087875 0.73 SERPINE1 (0.77) SERPINE1ENPP2POLB
SCHEMBL7088465 0.72 SERPINE1 (0.80) SERPINE1LMNAMAPTHTTSMN1; SMN2
SCHEMBL7089626 0.72 SERPINE1 (0.51) SERPINE1ENPP2PTGDR2LMNAMAPT

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