SCHEMBL4959655

SCHEMBL4959655

Cc1cc(Oc2c(C3CC3)nn(CC(=O)O)c2C2CC2)ccc1C#N

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 1/20 0.39
PGR P06401 3/20 0.38
FFAR4 Q5NUL3 3/20 0.37
AR P10275 4/20 0.36
NR3C2 P08235 2/20 0.34
USP30 Q70CQ3 1/20 0.34
MCL1 Q07820 1/20 0.34
DPP4 P27487 1/20 0.34
KCNH2 Q12809 1/20 0.34
KDM1A O60341 1/20 0.34

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
SCHEMBL4962255 0.91 MRGPRX4 (0.40) MRGPRX4PGRFFAR4ARNR3C2
SCHEMBL4112533 0.90 PGR (0.48) MRGPRX4PGRFFAR4ARNR3C2
SCHEMBL4959670 0.88 MRGPRX4 (0.39) MRGPRX4PGRAR
SCHEMBL4960690 0.87 PGR (0.35) PGRFFAR4MCL1DPP4KCNH2
SCHEMBL4960107 0.86 AR (0.47) AR
SCHEMBL4609500 0.84 PGR (0.46) MRGPRX4PGRAR
SCHEMBL4959617 0.83 PGR (0.50) PGRFFAR4
SCHEMBL4114375 0.83 MRGPRX4 (0.36) MRGPRX4PGRFFAR4ARNR3C2
SCHEMBL4109845 0.81 PGR (0.44) MRGPRX4PGRFFAR4ARUSP30
SCHEMBL4962986 0.81 ATM (0.41) MRGPRX4PGRAR

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-1874732-A1 PYRAZOLE DERIVATIVES AS PROGESTERONE RECEPTOR ANTAGONISTS Pfizer Limited (GB) 2008-01-09 EP disclosed
WO-2006111856-A1 PYRAZOLE DERIVATIVES AS PROGESTERONE RECEPTOR ANTAGONISTS PFIZER LIMITED (GB) 2006-10-26 WO disclosed