SCHEMBL8328943

SCHEMBL8328943

N#Cc1cc2n(c1-c1cccnc1Cl)CCCC2O

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 3/20 0.36
CNR1 P21554 1/20 0.36
KDM4E B2RXH2 1/20 0.36
RECQL P46063 1/20 0.36
DPP4 P27487 2/20 0.36
CYP11B2 P19099 1/20 0.34
GRM5 P41594 1/20 0.34
PDE4A P27815 1/20 0.34
ELANE P08246 4/20 0.33
KCNMA1 Q12791 1/20 0.33
MALT1 Q9UDY8 1/20 0.32
ALOX5AP P20292 1/20 0.32
FEN1 P39748 1/20 0.32
LRRK2 Q5S007 1/20 0.32
CYP2D6 P10635 1/20 0.32
DPP8 Q6V1X1 1/20 0.32
DPP9 Q86TI2 1/20 0.32
DPP7 Q9UHL4 1/20 0.32

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
SCHEMBL8332231 0.80 KDM4E (0.36) CNR2CNR1KDM4ERECQLDPP4
SCHEMBL7961452 0.79 KCNMA1 (0.38) KDM4ERECQLDPP4PDE4AKCNMA1
SCHEMBL7963738 0.78 KCNMA1 (0.37) DPP4KCNMA1
SCHEMBL7967718 0.76 KCNMA1 (0.36) DPP4KCNMA1
SCHEMBL7961349 0.76 KCNMA1 (0.34) KDM4EDPP4KCNMA1
SCHEMBL7964348 0.75 KDM4E (0.35) KDM4ERECQLDPP4ELANEKCNMA1
SCHEMBL7965321 0.74 KCNMA1 (0.34) KDM4EDPP4KCNMA1
SCHEMBL8329371 0.74 DPP4 (0.35) KDM4ERECQLDPP4ELANEKCNMA1
SCHEMBL8324285 0.74 CYP11B2 (0.38) CNR2CNR1KDM4ERECQLCYP11B2
SCHEMBL7952967 0.73 DPP4 (0.35) KDM4ERECQLDPP4ELANEKCNMA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0946555-A1 PYRROLE DERIVATIVES, THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM Aventis Pharma S.A. (FR) 1999-10-06 EP claimed
WO-1998025925-A1 PYRROLE DERIVATIVES, THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM RHONE-POULENC RORER S.A. (FR) 1998-06-18 WO claimed