SCHEMBL6922704

SCHEMBL6922704

Cc1nc2ccccc2c(Nc2ccc(N3CCCN(C)CC3)cc2)c1C

nearest known ligand 0.91

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA2C P18825 13/20 0.91
ADRA2A P08913 12/20 0.91
ADRA2B P18089 10/20 0.72
KDM1A O60341 8/20 0.72
GLA P06280 1/20 0.72
SLC2A1 P11166 1/20 0.72
RECQL P46063 1/20 0.72
BLM P54132 1/20 0.72
TDP1 Q9NUW8 1/20 0.72
ADRB2 P07550 1/20 0.69
CHRM2 P08172 1/20 0.69
CHRM1 P11229 1/20 0.69
DRD1 P21728 1/20 0.69
SLC6A2 P23975 1/20 0.69
ADRA1D P25100 1/20 0.69
HTR1D P28221 1/20 0.69
SLC6A4 P31645 1/20 0.69
HTR7 P34969 1/20 0.69
ADRA1A P35348 1/20 0.69
HRH1 P35367 1/20 0.69

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
SCHEMBL7127774 0.95 ADRA2A (1.00) ADRA2CADRA2AADRA2BKDM1AGLA
SCHEMBL6821471 0.89 ADRA2A (0.94) ADRA2CADRA2AADRA2BKDM1AGLA
SCHEMBL6922102 0.87 ADRA2A (0.92) ADRA2CADRA2AADRA2BKDM1AGLA
SCHEMBL6821547 0.85 ADRA2A (1.00) ADRA2CADRA2AADRA2BKDM1AGLA
SCHEMBL6821566 0.85 ADRA2C (0.84) ADRA2CADRA2AADRA2BKDM1AGLA
SCHEMBL1664525 0.84 KDM1A (1.00) ADRA2CADRA2AADRA2BKDM1AGLA
SCHEMBL6818670 0.83 ADRA2A (0.77) ADRA2CADRA2AADRA2BKDM1AGLA
SCHEMBL7130095 0.82 ADRA2A (1.00) ADRA2CADRA2AADRA2BKDM1AGLA
SCHEMBL7123693 0.82 ADRA2A (1.00) ADRA2CADRA2AADRA2BKDM1AGLA
SCHEMBL6818639 0.81 ADRA2C (0.70) ADRA2CADRA2AADRA2BKDM1AGLA

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