SCHEMBL8320630

SCHEMBL8320630

COC(=O)C1=C(C)N=C(C)N[C@H]1c1ccc(F)c(F)c1

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ADRA1D P25100 10/20 0.46
ADRA1A P35348 10/20 0.46
ADRA1B P35368 10/20 0.46
ATM Q13315 1/20 0.41
ALDH1A1 P00352 1/20 0.41
LMNA P02545 2/20 0.40
TSHR P16473 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
GAA P10253 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
TP53 P04637 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
SCHEMBL6197822 1.00 ADRA1D (0.46) ADRA1DADRA1AADRA1BATMALDH1A1
SCHEMBL6199093 0.88 ADRA1D (0.42) ADRA1DADRA1AADRA1BATMALDH1A1
SCHEMBL6196678 0.87 ALDH1A1 (0.37) ADRA1DADRA1AADRA1BALDH1A1LMNA
SCHEMBL6193377 0.84 ADRA1D (0.42) ADRA1DADRA1AADRA1BATMALDH1A1
SCHEMBL6199413 0.82 PKM (0.52) ATMALDH1A1TSHRGAA
SCHEMBL19752687 0.77 GUSB (0.64) ALDH1A1LMNATSHRGAAL3MBTL1
SCHEMBL19752623 0.77 GUSB (0.64) ALDH1A1LMNATSHRGAAL3MBTL1
SCHEMBL8196075 0.76 ADRA1A (0.37) ADRA1DADRA1AADRA1BATM
SCHEMBL10113415 0.76 TP53 (0.70) ADRA1DADRA1AADRA1BALDH1A1LMNA
SCHEMBL6196948 0.74 GAA (0.36) ADRA1DADRA1AADRA1BALDH1A1LMNA

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0866708-A4 DIHYDROPYRIMIDINES AND USES THEREOF SYNAPTIC PHARMA CORP (US) 1999-05-06 EP disclosed
EP-0866708-A1 DIHYDROPYRIMIDINES AND USES THEREOF SYNAPTIC PHARMACEUTICAL CORPORATION (US) 1998-09-30 EP disclosed
WO-1997017969-A1 DIHYDROPYRIMIDINES AND USES THEREOF SYNAPTIC PHARMACEUTICAL CORPORATION (US) 1997-05-22 WO disclosed