SCHEMBL6995386

SCHEMBL6995386

CCc1cc(N2CCc3ccccc3C2C)nc(Nc2ccc(F)cc2C)n1

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GALR2 O43603 1/20 0.36
PIK3CA P42336 3/20 0.33
PIK3CG P48736 2/20 0.33
GRIN2D O15399 1/20 0.33
GRIN3B O60391 1/20 0.33
CHRM1 P11229 1/20 0.33
ADRA1D P25100 1/20 0.33
ADRA1A P35348 1/20 0.33
ADRA1B P35368 1/20 0.33
GRIN1 Q05586 1/20 0.33
GRIN2A Q12879 1/20 0.33
GRIN2B Q13224 1/20 0.33
GRIN2C Q14957 1/20 0.33
GRIN3A Q8TCU5 1/20 0.33

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 SCHEMBL6993026 0.99 GALR2 (0.35) GALR2PIK3CAPIK3CGGRIN2DGRIN3B
SCHEMBL7000418 0.93 GALR2 (0.35) GALR2PIK3CAPIK3CG
Hydrochloric Acid SCHEMBL6993369 0.92 GALR2 (0.35) GALR2PIK3CAPIK3CG
SCHEMBL6996011 0.90 ALDH1A1 (0.36) GRIN2DGRIN3BCHRM1ADRA1DADRA1A
Hydrochloric Acid SCHEMBL6990071 0.89 ALDH1A1 (0.36) GRIN2DGRIN3BCHRM1ADRA1DADRA1A
SCHEMBL6991589 0.89 GALR2 (0.38) GALR2
Hydrochloric Acid SCHEMBL6994764 0.88 GALR2 (0.37) GALR2
SCHEMBL6998561 0.87 BLM (0.38) GRIN2DGRIN3BCHRM1ADRA1DADRA1A
Hydrochloric Acid SCHEMBL6990611 0.86 KCNH3 (0.38)
Hydrochloric Acid SCHEMBL8804962 0.86 POLB (0.38) GRIN2DGRIN3BCHRM1ADRA1DADRA1A

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