SCHEMBL7971561

SCHEMBL7971561

COc1c2c(c(OC)c(OC)c1OC)CC(CCCCOc1ccc(CN3CCOCC3)cc1)C2

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.54
HRH3 Q9Y5N1 8/20 0.52
DRD4 P21917 1/20 0.45
MAOA P21397 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
TSHR P16473 2/20 0.43
ALDH1A1 P00352 1/20 0.43
CYP1A2 P05177 1/20 0.43
CHRM2 P08172 1/20 0.43
CHRM1 P11229 1/20 0.43
HTR2A P28223 1/20 0.43
MAPK1 P28482 1/20 0.43
SCN1A P35498 1/20 0.43
HTR2B P41595 1/20 0.43
KCNH2 Q12809 1/20 0.43
SCN2A Q99250 1/20 0.43
SIGMAR1 Q99720 1/20 0.43
SCN3A Q9NY46 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
Hydrochloric Acid SCHEMBL7961203 0.99 SMN1; SMN2 (0.53) SMN1; SMN2HRH3DRD4MAOAL3MBTL1
Hydrochloric Acid SCHEMBL7974459 0.83 SMN1; SMN2 (0.50) SMN1; SMN2HRH3DRD4MAOAL3MBTL1
SCHEMBL7961432 0.80 HPGD (0.54) SMN1; SMN2HRH3DRD4L3MBTL1ALDH1A1
SCHEMBL7961213 0.79 HRH3 (0.57) HRH3TSHR
SCHEMBL7971292 0.79 HRH3 (0.41) HRH3L3MBTL1NPC1RAB9AMEN1
Hydrochloric Acid SCHEMBL7971441 0.79 HRH3 (0.56) HRH3TSHR
SCHEMBL7971371 0.78 HRH3 (0.44) HRH3SIGMAR1MEN1KMT2A
SCHEMBL7977198 0.76 ALDH1A1 (0.43) SMN1; SMN2HRH3TSHRALDH1A1CYP1A2
SCHEMBL27640973 0.73 HRH3 (0.67) SMN1; SMN2HRH3L3MBTL1NPC1RAB9A
SCHEMBL7971379 0.73 HRH3 (0.51) HRH3TSHR

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
US-6326369-B1 ALZHEIMER'S DISEASE TAKEDA CHEMICALS INDUSTRIES, LTD. (JP) 2001-12-04 US disclosed