SCHEMBL7093465

SCHEMBL7093465

Cc1cc(N2CCc3ccsc3C2C)nc(Nc2ccc(F)cc2C)n1

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GALR2 O43603 1/20 0.37
HTT P42858 1/20 0.36
SCD O00767 1/20 0.34
RXFP1 Q9HBX9 1/20 0.31
HCRTR1 O43613 1/20 0.31
HCRTR2 O43614 1/20 0.31
PIK3CA P42336 2/20 0.31
PRKDC P78527 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
Hydrochloric Acid SCHEMBL6995471 0.99 GALR2 (0.36) GALR2HTTSCDRXFP1HCRTR1
Hydrochloric Acid SCHEMBL6991672 0.87 MEN1 (0.40) SCD
Hydrochloric Acid SCHEMBL6997985 0.87 NPSR1 (0.37) HTT
SCHEMBL7092841 0.84 GALR2 (0.33) GALR2HTTSCDRXFP1PIK3CA
Hydrochloric Acid SCHEMBL6991900 0.83 GALR2 (0.33) GALR2HTTRXFP1PIK3CAPRKDC
Hydrochloric Acid SCHEMBL8565839 0.83 POLB (0.42) GALR2HTTPIK3CAPRKDC
SCHEMBL6991589 0.83 GALR2 (0.38) GALR2HTTRXFP1
Hydrochloric Acid SCHEMBL6994764 0.82 GALR2 (0.37) GALR2HTT
SCHEMBL7093707 0.81 GALR2 (0.31) GALR2HTT
Hydrochloric Acid SCHEMBL6994945 0.81 GALR2 (0.31) GALR2

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
EP-0775120-B1 NOVEL PYRIMIDINE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF YUHAN CORP (KR) 2003-06-04 EP claimed