SCHEMBL4598733

SCHEMBL4598733

Cn1c(C#N)ccc1-c1ccc(N)cc1C(F)(F)F.Nc1ccc(Br)c(C(F)(F)F)c1

nearest known ligand 0.62

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
AR P10275 14/20 0.62
PGR P06401 4/20 0.53
PDE3B Q13370 1/20 0.47
PDE3A Q14432 1/20 0.47
GLA P06280 1/20 0.44
POLB P06746 1/20 0.44
GAA P10253 1/20 0.44
TSHR P16473 1/20 0.44

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
SCHEMBL4611503 0.93 AR (0.71) ARPGRPDE3BPDE3AGLA
SCHEMBL5047714 0.79 AR (0.60) ARPGR
SCHEMBL4609829 0.75 AR (0.69) ARPGR
SCHEMBL4599378 0.74 AR (0.68) ARPGR
SCHEMBL204299 0.72 GAA (0.61) ARPDE3BPDE3AGLAPOLB
Hydrochloric Acid SCHEMBL618359 0.71 GAA (0.59) ARPDE3BPDE3AGLAPOLB
SCHEMBL5134214 0.71 PGR (0.80) ARPGRPDE3BPDE3A
SCHEMBL4611754 0.69 PGR (1.00) ARPGRPDE3BPDE3A
SCHEMBL4611343 0.68 PGR (0.75) ARPGRPDE3BPDE3A
Water SCHEMBL20506731 0.67 TSHR (0.95) ARPDE3BPDE3AGLAPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1909785-A2 USE OF PROGESTERONE RECEPTOR MODULATORS Wyeth a Corporation of the State of Delaware (US) 2008-04-16 EP disclosed
EP-1910285-A1 CYANOPYRROLE-SULFONAMIDE PROGESTERONE RECEPTOR MODULATORS AND USES THEREOF Wyeth a Corporation of the State of Delaware (US) 2008-04-16 EP disclosed
WO-2007016385-A2 USE OF SUBSTITUTED 5-AMINO-1H-PYRROLE-2-CARBONITRILE DERIVATIVES AS PROGESTERONE RECEPTOR MODULATORS WYETH (US) 2007-02-08 WO disclosed
WO-2007016212-A1 CYANOPYRROLE-SULFONAMIDE PROGESTERONE RECEPTOR MODULATORS AND USES THEREOF WYETH (US) 2007-02-08 WO disclosed