SCHEMBL7084544

SCHEMBL7084544

CCN(Cc1cc(C(F)(F)F)ccc1N1CCC(C(=O)O)CC1)c1ccc(N2CCN(c3cccc(C(F)(F)F)c3)CC2)c(C(F)(F)F)c1

nearest known ligand 0.59

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
SERPINE1 P05121 14/20 0.59
NOTUM Q6P988 1/20 0.52
POLB P06746 1/20 0.43
HSD11B1 P28845 1/20 0.43
IDH2 P48735 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
SCHEMBL7088122 0.91 SERPINE1 (0.59) SERPINE1NOTUMPOLBHSD11B1IDH2
SCHEMBL7090199 0.82 SERPINE1 (0.54) SERPINE1NOTUMIDH2
SCHEMBL7088384 0.82 SERPINE1 (0.56) SERPINE1
SCHEMBL7084140 0.79 SERPINE1 (0.64) SERPINE1NOTUM
SCHEMBL4334462 0.76 NOTUM (0.85) SERPINE1NOTUMPOLBIDH2
SCHEMBL30173256 0.76 NOTUM (0.85) SERPINE1NOTUMPOLBIDH2
SCHEMBL7084790 0.75 SERPINE1 (0.60) SERPINE1NOTUMPOLBIDH2
SCHEMBL7085708 0.74 SERPINE1 (0.57) SERPINE1NOTUM
SCHEMBL7084542 0.74 SERPINE1 (1.00) SERPINE1NOTUMIDH2
SCHEMBL7088324 0.73 SERPINE1 (1.00) SERPINE1NOTUMIDH2

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