SCHEMBL7140165

SCHEMBL7140165

O=C(O)C1CCN(c2nc(N3CCN(c4cccc(C(F)(F)F)c4)CC3)c(F)cc2F)CC1

nearest known ligand 0.66

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 2/20 0.66
SERPINE1 P05121 5/20 0.57
POLB P06746 2/20 0.55
IDH2 P48735 1/20 0.53
LMNA P02545 4/20 0.53
TSHR P16473 3/20 0.53
ALDH1A1 P00352 1/20 0.53
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
MAPK1 P28482 1/20 0.51
TRPV1 Q8NER1 3/20 0.51
HTT P42858 3/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
USP2 O75604 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
MAPT P10636 1/20 0.47

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
SCHEMBL30173256 0.87 NOTUM (0.85) NOTUMSERPINE1POLBIDH2LMNA
SCHEMBL4334462 0.87 NOTUM (0.85) NOTUMSERPINE1POLBIDH2LMNA
SCHEMBL29957216 0.80 NOTUM (1.00) NOTUMSERPINE1POLB
SCHEMBL25170450 0.80 NOTUM (1.00) NOTUMSERPINE1POLB
SCHEMBL7142564 0.80 SERPINE1 (0.66) NOTUMSERPINE1POLBLMNAALDH1A1
SCHEMBL20564532 0.77 KDM4E (0.50) NOTUMLMNAHTTUSP2NPSR1
SCHEMBL31111336 0.77 KDM4E (0.50) NOTUMLMNAHTTUSP2NPSR1
SCHEMBL5801322 0.76 NOTUM (0.70) NOTUMSERPINE1POLBLMNATSHR
SCHEMBL31381163 0.76 NOTUM (0.70) NOTUMSERPINE1POLBLMNATSHR
SCHEMBL7087663 0.76 SERPINE1 (0.89) NOTUMSERPINE1POLBLMNAHTT

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