SCHEMBL7090199

SCHEMBL7090199

O=C(O)C1CCN(c2ccc(C(F)(F)F)cc2CN(c2ccc(N3CCN(c4cccc(C(F)(F)F)c4)CC3)c(C(F)(F)F)c2)c2ncc[nH]2)CC1

nearest known ligand 0.54

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
SERPINE1 P05121 15/20 0.54
NOTUM Q6P988 1/20 0.45
TRPV1 Q8NER1 3/20 0.41
IDH2 P48735 1/20 0.40

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
SCHEMBL7084790 0.91 SERPINE1 (0.60) SERPINE1NOTUMTRPV1IDH2
SCHEMBL7089626 0.84 SERPINE1 (0.51) SERPINE1
SCHEMBL7088122 0.83 SERPINE1 (0.59) SERPINE1NOTUMIDH2
SCHEMBL7084544 0.82 SERPINE1 (0.59) SERPINE1NOTUMIDH2
SCHEMBL7084140 0.74 SERPINE1 (0.64) SERPINE1NOTUM
SCHEMBL4334462 0.71 NOTUM (0.85) SERPINE1NOTUMTRPV1IDH2
SCHEMBL30173256 0.71 NOTUM (0.85) SERPINE1NOTUMTRPV1IDH2
SCHEMBL7084542 0.70 SERPINE1 (1.00) SERPINE1NOTUMIDH2
SCHEMBL7085708 0.70 SERPINE1 (0.57) SERPINE1NOTUM
SCHEMBL7087931 0.69 SERPINE1 (0.52) SERPINE1NOTUM

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