SCHEMBL21477090

SCHEMBL21477090

CC(C)OCc1ccc(CN2CCN(C(C)C)CC2)nn1

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 14/20 0.41
KDM4E B2RXH2 2/20 0.36
ALDH1A1 P00352 2/20 0.36
TDP1 Q9NUW8 1/20 0.36
MAPT P10636 1/20 0.34
PKM P14618 1/20 0.34
TACR2 P21452 1/20 0.34
MAOB P27338 2/20 0.33
KDM1A O60341 1/20 0.33

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
SCHEMBL22560634 0.83 HRH3 (0.40) HRH3KDM4EALDH1A1TDP1MAPT
SCHEMBL3051997 0.79 HRH3 (0.43) HRH3KDM4EALDH1A1TDP1
SCHEMBL20148585 0.70 HRH3 (0.55) HRH3KDM4EALDH1A1TDP1
SCHEMBL18705095 0.70 HRH3 (0.52) HRH3KDM4EALDH1A1
SCHEMBL20324223 0.69 HRH4 (0.44) HRH3KDM4EALDH1A1TDP1MAPT
SCHEMBL25109032 0.69 KDM4E (0.49) HRH3KDM4EALDH1A1TDP1
SCHEMBL3068170 0.69 HRH3 (0.57) HRH3KDM4EALDH1A1TDP1
SCHEMBL18705087 0.69 HRH3 (0.54) HRH3KDM4EALDH1A1TDP1
SCHEMBL20148588 0.69 HRH3 (0.54) HRH3KDM4EALDH1A1TDP1
SCHEMBL18705081 0.68 DDB1 (0.48) HRH3KDM4EALDH1A1TDP1MAOB

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
WO-2019199816-A1 CEREBLON LIGANDS AND BIFUNCTIONAL COMPOUNDS COMPRISING THE SAME ARVINAS OPERATIONS, INC. (US) 2019-10-17 WO disclosed