SCHEMBL7087880

SCHEMBL7087880

CN(Cc1cc(C(F)(F)F)ccc1Oc1ccc(C(=O)O)cc1)c1ccc(N2CCN(c3cccc(C(F)(F)F)c3)CC2)c(C(F)(F)F)c1

nearest known ligand 0.57

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SERPINE1 P05121 13/20 0.57
ENPP2 Q13822 2/20 0.42
SCN9A Q15858 1/20 0.41
TP53 P04637 1/20 0.41
ERAP1 Q9NZ08 1/20 0.41
TSHR P16473 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
SCHEMBL7088384 0.92 SERPINE1 (0.56) SERPINE1ENPP2SCN9ATP53TSHR
SCHEMBL7089570 0.88 SERPINE1 (0.61) SERPINE1TP53TSHR
SCHEMBL7089626 0.85 SERPINE1 (0.51) SERPINE1ENPP2
SCHEMBL7088122 0.81 SERPINE1 (0.59) SERPINE1TSHR
SCHEMBL7087862 0.80 SERPINE1 (0.58) SERPINE1ENPP2
SCHEMBL7091878 0.78 SERPINE1 (0.56) SERPINE1ENPP2
SCHEMBL7163081 0.75 SERPINE1 (0.54) SERPINE1ENPP2SCN9A
SCHEMBL7084122 0.75 SERPINE1 (0.53) SERPINE1ENPP2
SCHEMBL7085685 0.73 SERPINE1 (1.00) SERPINE1
SCHEMBL7084544 0.73 SERPINE1 (0.59) SERPINE1

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