SCHEMBL2926099

SCHEMBL2926099

CC(C)N1CCN(C(=O)C2CCC(Oc3ccccc3N3CCCC3=O)CC2)CC1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 7/20 0.48
KMT2A Q03164 1/20 0.43
ALDH1A1 P00352 2/20 0.41
KDM4E B2RXH2 1/20 0.41
MAPT P10636 1/20 0.41
CNR1 P21554 1/20 0.39
CNR2 P34972 1/20 0.39
TSHR P16473 1/20 0.39
GAA P10253 1/20 0.38
USP2 O75604 1/20 0.38
HTT P42858 1/20 0.38
ATM Q13315 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
KCNH2 Q12809 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
SCHEMBL2926101 1.00 HRH3 (0.48) HRH3KMT2AALDH1A1KDM4EMAPT
SCHEMBL2923294 0.82 HRH3 (0.54) HRH3KMT2A
SCHEMBL2923295 0.82 HRH3 (0.54) HRH3KMT2A
SCHEMBL2924472 0.80 HRH3 (0.61) HRH3
SCHEMBL2924469 0.80 HRH3 (0.61) HRH3
SCHEMBL2924527 0.79 HRH3 (0.52) HRH3KMT2AKDM4EMAPT
SCHEMBL2924525 0.79 HRH3 (0.52) HRH3KMT2AKDM4EMAPT
SCHEMBL2924865 0.79 HRH3 (0.51) HRH3ALDH1A1USP2HTTATM
SCHEMBL2924869 0.79 HRH3 (0.51) HRH3ALDH1A1USP2HTTATM
SCHEMBL2927433 0.71 HRH3 (0.53) HRH3KMT2AALDH1A1KDM4EMAPT

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-2158189-B1 CYCLOHEXYL DERIVATIVES HOFFMANN LA ROCHE (CH) 2010-09-15 EP claimed