SCHEMBL20056802

SCHEMBL20056802

c1ccc2c(c1)CCCC2NCC1CCCN1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 1/20 0.51
ALDH1A1 P00352 3/20 0.47
KDM4E B2RXH2 2/20 0.47
LMNA P02545 1/20 0.45
HTT P42858 1/20 0.45
MAOA P21397 2/20 0.44
MAOB P27338 2/20 0.44
KMT2A Q03164 1/20 0.44
BCHE P06276 1/20 0.44
ADRA2B P18089 1/20 0.44
ADRA2C P18825 1/20 0.44
ACHE P22303 1/20 0.44
ADRA1A P35348 1/20 0.44
HTR6 P50406 1/20 0.44
HDAC6 Q9UBN7 1/20 0.43
KCNN3 Q9UGI6 1/20 0.43
HPGD P15428 1/20 0.43
TSHR P16473 1/20 0.43

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
SCHEMBL6258055 0.78 EPHX1 (0.52) ALDH1A1KDM4ELMNAHTTMAOA
SCHEMBL1327511 0.75 HTT (0.56) ALDH1A1KDM4ELMNAHTTMAOA
SCHEMBL8249322 0.75 ALDH1A1 (0.57) ALDH1A1KDM4ELMNAHTTMAOA
SCHEMBL1327514 0.75 HTT (0.56) ALDH1A1KDM4ELMNAHTTMAOA
SCHEMBL14930299 0.75 HTT (0.56) ALDH1A1KDM4ELMNAHTTMAOA
SCHEMBL13694093 0.74 GRIN2B (0.47) KDM1ALMNAHTR6
SCHEMBL18995758 0.74 ALDH1A1 (0.60) ALDH1A1KDM4ELMNAHTTMAOA
SCHEMBL7331088 0.74 EPHX2 (0.60) ALDH1A1KDM4EHTT
SCHEMBL6254978 0.74 EPHX2 (0.60) ALDH1A1KDM4EHTT
SCHEMBL6252685 0.73 KDM4E (0.65) ALDH1A1KDM4EHTTKMT2A

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-1883627-B1 BIR DOMAIN BINDING COMPOUNDS PHARMASCIENCE INC (CA) 2018-04-18 EP disclosed