SCHEMBL8330679

SCHEMBL8330679

CCOC(=O)/C(C#N)=C(/NC)N(C)C1CN(Cc2ccc(F)cc2)CCO1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN2B Q13224 10/20 0.42
DRD4 P21917 4/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
LMNA P02545 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
HTR1A P08908 1/20 0.40
ADRA2A P08913 1/20 0.40
ADORA3 P0DMS8 1/20 0.40
CYP2C9 P11712 1/20 0.40
ADRA2B P18089 1/20 0.40
HTR2C P28335 1/20 0.40
SLC6A4 P31645 1/20 0.40
CYP2C19 P33261 1/20 0.40
DRD3 P35462 1/20 0.40
HTR2B P41595 1/20 0.40
KCNH2 Q12809 1/20 0.40
SIGMAR1 Q99720 1/20 0.40
RXRB P28702 3/20 0.38

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
SCHEMBL7490787 0.89 CCR3 (0.41) GRIN2BDRD4MEN1KMT2ALMNA
SCHEMBL7497394 0.89 DRD4 (0.42) GRIN2BDRD4MEN1KMT2ALMNA
SCHEMBL7499277 0.80 MEN1 (0.54) GRIN2BDRD4MEN1KMT2ALMNA
SCHEMBL7499283 0.80 MEN1 (0.54) GRIN2BDRD4MEN1KMT2ALMNA
SCHEMBL7495888 0.77 DRD4 (0.41) GRIN2BDRD4MEN1KMT2ALMNA
SCHEMBL7496846 0.74 DRD4 (0.48) DRD4CYP1A2CYP3A4CYP2C9DRD3
SCHEMBL7494865 0.74 MEN1 (0.49) GRIN2BDRD4MEN1KMT2ALMNA
SCHEMBL7494860 0.74 MEN1 (0.49) GRIN2BDRD4MEN1KMT2ALMNA
SCHEMBL7494625 0.74 CCR3 (0.42) DRD4KMT2ASIGMAR1MGAT2MOGAT2
SCHEMBL7497398 0.73 DRD3 (0.49) DRD4MEN1KMT2ALMNACYP1A2

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-0760368-B1 PYRIMIDINE DERIVATIVES NISSHIN FLOUR MILLING CO (JP) 1999-07-28 EP disclosed
EP-0760368-A1 NOVEL PYRIMIDINE DERIVATIVE NISSHIN FLOUR MILLING CO., LTD. (JP) 1997-03-05 EP disclosed