SCHEMBL4053108

SCHEMBL4053108

CC(C)(C)[C@H](NC(=O)c1nn(CC2CCCCC2)c2cc(F)ccc12)C(=O)NC1CC1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 4/20 0.50
CNR2 P34972 2/20 0.39
KDM4C Q9H3R0 2/20 0.38
GUCY1A1 Q02108 2/20 0.37
GUCY1B1 Q02153 2/20 0.37
MMP2 P08253 4/20 0.37
HTR3A P46098 3/20 0.37
MMP3 P08254 2/20 0.37
HTR2A P28223 1/20 0.37
HTR2C P28335 1/20 0.37
SLC6A4 P31645 1/20 0.37
ROCK1 Q13464 1/20 0.36
CFD P00746 1/20 0.36
P2RX7 Q99572 1/20 0.36
RBP4 P02753 1/20 0.36

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
SCHEMBL13691265 1.00 CNR1 (0.50) CNR1CNR2KDM4CGUCY1A1GUCY1B1
SCHEMBL4050249 0.93 CNR1 (0.50) CNR1CNR2KDM4CMMP2HTR3A
SCHEMBL13690984 0.93 CNR1 (0.50) CNR1CNR2KDM4CMMP2HTR3A
SCHEMBL13690608 0.92 ROCK1 (0.43) CNR1CNR2HTR3AHTR2AROCK1
SCHEMBL4049662 0.89 CNR1 (0.59) CNR1CNR2KDM4CGUCY1A1GUCY1B1
SCHEMBL13691275 0.88 CNR1 (0.49) CNR1CNR2KDM4CGUCY1A1GUCY1B1
SCHEMBL4052498 0.88 CNR1 (0.49) CNR1CNR2KDM4CGUCY1A1GUCY1B1
SCHEMBL4048901 0.88 CNR1 (0.65) CNR1CNR2MMP2HTR3AMMP3
SCHEMBL4050767 0.88 CNR1 (0.65) CNR1CNR2MMP2HTR3AMMP3
SCHEMBL13690583 0.87 CNR1 (0.52) CNR1CNR2KDM4CGUCY1A1GUCY1B1

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
WO-2009106980-A2 INDAZOLE DERIVATIVES PFIZER INC. (US) 2009-09-03 WO claimed
WO-2009106980-A2 INDAZOLE DERIVATIVES PFIZER INC. (US) 2009-09-03 WO disclosed