SCHEMBL5597102

SCHEMBL5597102

[c]1ccnc(N2CCN(CCN3CCOCC3)CC2)n1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 1/20 0.41
HTR1A P08908 6/20 0.39
DRD2 P14416 3/20 0.38
HTR2A P28223 3/20 0.38
DRD3 P35462 3/20 0.38
DRD1 P21728 2/20 0.38
DRD5 P21918 1/20 0.38
DRD4 P21917 2/20 0.38
ADRA2C P18825 1/20 0.38
HTR2C P28335 1/20 0.38
HRH1 P35367 1/20 0.38
KDM4E B2RXH2 1/20 0.37
HTT P42858 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37

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
SCHEMBL1110443 0.87 POLB (0.41) KDM4EHTTKMT2A
SCHEMBL5596259 0.80 LMNA (0.50) KDM4EHTTMEN1KMT2A
SCHEMBL6293414 0.80 CHRNA7 (0.40) KDM4EMEN1KMT2A
SCHEMBL5597094 0.77 HTR3A (0.42) MEN1KMT2A
SCHEMBL5801843 0.75 CYP1A2 (0.43) DRD1DRD5DRD4KDM4E
SCHEMBL3513447 0.75 KDM4E (0.36) HRH1KDM4EHTTMEN1KMT2A
SCHEMBL1750786 0.74 MKNK1 (0.49) KDM4EHTTMEN1KMT2A
SCHEMBL2322094 0.73 CCNT1 (0.35) KDM4EHTTMEN1KMT2A
SCHEMBL5801122 0.73 MAPT (0.66) HTTKMT2A
SCHEMBL6033433 0.73 CXCR4 (0.45) KDM4EHTTMEN1KMT2A

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-1696909-B1 BENZOTHIAZOLE DERIVATIVES FOR THE TREATMENT OF DIABETES SERONO LAB (CH) 2007-11-14 EP claimed