SCHEMBL8010039

SCHEMBL8010039

CC(=O)c1ccc(-n2nc(OCCCN(C)C)cc2Cc2ccccc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 2/20 0.42
LMNA P02545 1/20 0.41
THRA P10827 1/20 0.39
MAPT P10636 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
ALDH1A1 P00352 2/20 0.38
KDM4E B2RXH2 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
ESR1 P03372 2/20 0.38
MAOB P27338 1/20 0.38
GUCY1B2 O75343 1/20 0.38
CYP1A2 P05177 1/20 0.38
CHRM2 P08172 1/20 0.38
HTR1A P08908 1/20 0.38
ADRA2A P08913 1/20 0.38
CYP2D6 P10635 1/20 0.38
CHRM1 P11229 1/20 0.38
DRD1 P21728 1/20 0.38
SLC6A2 P23975 1/20 0.38

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
SCHEMBL8018544 0.90 HRH1 (0.41) HRH1THRAALDH1A1KDM4ESMN1; SMN2
SCHEMBL7999666 0.85 HRH1 (0.43) HRH1KDM4EGUCY1B2CYP1A2CHRM2
SCHEMBL8007360 0.81 SIGMAR1 (0.51) KCNH2
SCHEMBL8010524 0.81 SLC6A4 (0.41) HRH1KDM4EGUCY1B2CYP1A2CHRM2
SCHEMBL8010890 0.80 HRH1 (0.43) HRH1ALDH1A1KDM4EGUCY1B2CYP1A2
SCHEMBL8010463 0.77 CHRNB2 (0.44) HRH1LMNAMAPTSMN1; SMN2CYP1A2
SCHEMBL7998338 0.77 CTSK (0.44) HRH1LMNAALDH1A1KDM4EGUCY1B2
SCHEMBL8020139 0.77 HRH1 (0.43) HRH1KDM4EGUCY1B2CYP1A2CHRM2
SCHEMBL8008167 0.76 HRH1 (0.48) HRH1KDM4EGUCY1B2CYP1A2CHRM2
SCHEMBL7998241 0.74 P2RX7 (0.48) HRH1KDM4EGUCY1B2CYP1A2CHRM2

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-2000027394-A1 ACTIVATORS OF SOLUBLE GUANYLATE CYCLASE UNIVERSITY COLLEGE LONDON (GB) 2000-05-18 WO disclosed