SCHEMBL7085708

SCHEMBL7085708

O=C(O)C1CCN(c2ccc(C(F)(F)F)cc2CNc2cc(C(F)(F)F)c(N3CCN(c4cccc(C(F)(F)F)c4)CC3)cc2-n2ccnc2)CC1

nearest known ligand 0.57

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
SERPINE1 P05121 19/20 0.57
NOTUM Q6P988 1/20 0.45

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
SCHEMBL7084140 0.90 SERPINE1 (0.64) SERPINE1NOTUM
SCHEMBL7087931 0.81 SERPINE1 (0.52) SERPINE1NOTUM
SCHEMBL7088122 0.75 SERPINE1 (0.59) SERPINE1NOTUM
SCHEMBL7084544 0.74 SERPINE1 (0.59) SERPINE1NOTUM
SCHEMBL7084542 0.73 SERPINE1 (1.00) SERPINE1NOTUM
SCHEMBL7088324 0.72 SERPINE1 (1.00) SERPINE1NOTUM
SCHEMBL7085026 0.71 SERPINE1 (0.69) SERPINE1NOTUM
SCHEMBL7088265 0.71 SERPINE1 (0.61) SERPINE1NOTUM
SCHEMBL7087862 0.71 SERPINE1 (0.58) SERPINE1
SCHEMBL4334462 0.71 NOTUM (0.85) 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