SCHEMBL6818599

SCHEMBL6818599

CCc1c(C)nc2c(C)cccc2c1Nc1ccc(N2CCNC2)cc1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA2C P18825 14/20 0.69
ADRA2A P08913 13/20 0.69
ADRA2B P18089 11/20 0.69
KDM1A O60341 3/20 0.47
GAA P10253 1/20 0.43
MAPT P10636 1/20 0.43
MAPK1 P28482 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
MDM4 O15151 1/20 0.39
LMNA P02545 1/20 0.39
AHR P35869 1/20 0.39
MDM2 Q00987 1/20 0.39
CCNB2 O95067 1/20 0.39
CCNE2 O96020 1/20 0.39
CDK1 P06493 1/20 0.39
CDK4 P11802 1/20 0.39
CCNB1 P14635 1/20 0.39
CCNA2 P20248 1/20 0.39

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
SCHEMBL6821569 0.86 ADRA2C (0.82) ADRA2CADRA2AADRA2BKDM1AGAA
SCHEMBL6919721 0.85 ADRA2C (0.92) ADRA2CADRA2AADRA2BKDM1AGAA
SCHEMBL6822526 0.82 ADRA2C (1.00) ADRA2CADRA2AADRA2BKDM1AGAA
SCHEMBL6920151 0.81 ADRA2C (0.79) ADRA2CADRA2AADRA2B
SCHEMBL7123693 0.70 ADRA2A (1.00) ADRA2CADRA2AADRA2BKDM1ATDP1
SCHEMBL6821566 0.69 ADRA2C (0.84) ADRA2CADRA2AADRA2BKDM1ATDP1
SCHEMBL6922102 0.67 ADRA2A (0.92) ADRA2CADRA2AADRA2BKDM1ATDP1
SCHEMBL6824787 0.66 ADRA2A (0.84) ADRA2CADRA2AADRA2B
SCHEMBL7159038 0.66 ADRA2C (0.70) ADRA2CADRA2AADRA2BKDM1ATDP1
SCHEMBL7128192 0.65 KDM4E (0.68) ADRA2CADRA2AADRA2BMAPTL3MBTL1

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
WO-2004067513-A1 ANTAGONISTS FOR ALPHA-2 ADRENOCEPTORS OY JUVANTIA PHARMA LTD (FI) 2004-08-12 WO claimed
WO-2004067513-A1 ANTAGONISTS FOR ALPHA-2 ADRENOCEPTORS OY JUVANTIA PHARMA LTD (FI) 2004-08-12 WO disclosed