SCHEMBL6997343

SCHEMBL6997343

Fc1ccc(Nc2nc3c(c(N4CCc5ccccc5C4)n2)CCCC3)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN2D O15399 1/20 0.45
GRIN3B O60391 1/20 0.45
CHRM1 P11229 1/20 0.45
ADRA1D P25100 1/20 0.45
ADRA1A P35348 1/20 0.45
ADRA1B P35368 1/20 0.45
GRIN1 Q05586 1/20 0.45
GRIN2A Q12879 1/20 0.45
GRIN2B Q13224 1/20 0.45
GRIN2C Q14957 1/20 0.45
GRIN3A Q8TCU5 1/20 0.45
LMNA P02545 3/20 0.43
HTT P42858 3/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
GAA P10253 2/20 0.43
TP53 P04637 1/20 0.43
GFER P55789 1/20 0.43
KDM4E B2RXH2 5/20 0.42
MAPK1 P28482 4/20 0.42
HPGD P15428 3/20 0.42

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 SCHEMBL6993593 0.99 GRIN2D (0.44) GRIN2DGRIN3BCHRM1ADRA1DADRA1A
SCHEMBL6998551 0.85 GRIN2D (0.43) GRIN2DGRIN3BCHRM1ADRA1DADRA1A
Hydrochloric Acid SCHEMBL6994942 0.84 GRIN2D (0.43) GRIN2DGRIN3BCHRM1ADRA1DADRA1A
SCHEMBL7001354 0.81 CCNA2 (0.51) GRIN2DGRIN3BCHRM1ADRA1DADRA1A
Hydrochloric Acid SCHEMBL6989818 0.80 CCNA2 (0.50) GRIN2DGRIN3BCHRM1ADRA1DADRA1A
SCHEMBL7821547 0.80 LMNA (0.65) LMNAHTTSMN1; SMN2GAATP53
SCHEMBL6997622 0.80 MEN1 (0.45) GRIN2DGRIN3BCHRM1ADRA1DADRA1A
Hydrochloric Acid SCHEMBL7822581 0.79 LMNA (0.67) LMNAHTTSMN1; SMN2GAATP53
Hydrochloric Acid SCHEMBL6997347 0.79 KDM4E (0.45) GRIN2DGRIN3BCHRM1ADRA1DADRA1A
SCHEMBL6990874 0.77 MEN1 (0.42) 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 2 patents. 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
CN-1102144-C Noval pyrimidine derivatives and prepn. processes thereof YUHAN CORP (KR) 2003-02-26 CN disclosed