SCHEMBL27682181

SCHEMBL27682181

CCc1nc2c(cnn2CC)c(-c2cncc(C)c2)c1CO

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.35
GCGR P47871 1/20 0.34
PSEN1 P49768 1/20 0.32
PSEN2 P49810 1/20 0.32
APH1B Q8WW43 1/20 0.32
NCSTN Q92542 1/20 0.32
APH1A Q96BI3 1/20 0.32
PSENEN Q9NZ42 1/20 0.32
MAPT P10636 2/20 0.31
TSHR P16473 2/20 0.31
NPSR1 Q6W5P4 2/20 0.31
RECQL P46063 1/20 0.31
MEN1 O00255 1/20 0.31
GMNN O75496 1/20 0.31
USP2 O75604 1/20 0.31
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
TP53 P04637 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31

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
SCHEMBL5116230 0.90 MAPT (0.35) SIGMAR1GCGRPSEN1PSEN2APH1B
SCHEMBL27662807 0.89 DPP4 (0.34) SIGMAR1
SCHEMBL4772589 0.89 MAPT (0.33) SIGMAR1PSEN1PSEN2APH1BNCSTN
SCHEMBL27662580 0.88 MAPT (0.36) SIGMAR1PSEN1PSEN2APH1BNCSTN
SCHEMBL5367889 0.87 PSEN1 (0.34) SIGMAR1PSEN1PSEN2APH1BNCSTN
SCHEMBL27682184 0.84 KDM4E (0.36) SIGMAR1GCGRPSEN1PSEN2APH1B
SCHEMBL4772587 0.83 MAPT (0.33) MAPTTSHRNPSR1RECQLMEN1
SCHEMBL27662703 0.83 PRKAA2 (0.36) SIGMAR1PSEN1PSEN2APH1BNCSTN
SCHEMBL5370268 0.82 CYP11B1 (0.37) SIGMAR1GCGRALDH1A1SMN1; SMN2HSD17B10
SCHEMBL27682179 0.82 PDE10A (0.37) SIGMAR1PSEN1PSEN2APH1BNCSTN

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
CN-1980927-A Pyrazolopyridine derivatives ASTELLAS PHARMA INC (JP) 2007-06-13 CN disclosed