SCHEMBL27640973

SCHEMBL27640973

BrCCCCOc1ccc(CN2CCOCC2)cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 5/20 0.67
SMN1; SMN2 Q16637 2/20 0.59
L3MBTL1 Q9Y468 1/20 0.54
MAPK1 P28482 2/20 0.52
TSHR P16473 2/20 0.52
ALDH1A1 P00352 1/20 0.52
CYP1A2 P05177 1/20 0.52
CHRM2 P08172 1/20 0.52
CHRM1 P11229 1/20 0.52
HTR2A P28223 1/20 0.52
SCN1A P35498 1/20 0.52
HTR2B P41595 1/20 0.52
KCNH2 Q12809 1/20 0.52
SCN2A Q99250 1/20 0.52
SIGMAR1 Q99720 1/20 0.52
SCN3A Q9NY46 1/20 0.52
ACHE P22303 1/20 0.52
RAD52 P43351 1/20 0.52
NPC1 O15118 3/20 0.52
RAB9A P51151 3/20 0.52

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
SCHEMBL27661537 0.99 HRH3 (0.65) HRH3SMN1; SMN2L3MBTL1MAPK1TSHR
SCHEMBL16702209 0.95 HRH3 (0.68) HRH3SMN1; SMN2L3MBTL1MAPK1TSHR
Hydrochloric Acid SCHEMBL16702258 0.94 HRH3 (0.67) HRH3SMN1; SMN2L3MBTL1MAPK1TSHR
SCHEMBL27641115 0.85 HRH3 (0.72) HRH3TSHRACHERAD52
SCHEMBL4023218 0.84 HRH3 (0.65) HRH3SMN1; SMN2L3MBTL1MAPK1TSHR
SCHEMBL27661481 0.84 HRH3 (0.70) HRH3TSHRACHERAD52
SCHEMBL28760646 0.84 HRH3 (0.70) HRH3TSHRACHERAD52
SCHEMBL27640984 0.84 HRH3 (0.70) HRH3TSHRACHERAD52
SCHEMBL27661480 0.84 HRH3 (0.70) HRH3TSHRACHERAD52
SCHEMBL9763380 0.82 HRH3 (0.50) HRH3SMN1; SMN2TSHRCHRM2HTR2A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-100384850-C Galantamine derivative and its prepn process and use UNIV ZHEJIANG (CN) 2008-04-30 CN disclosed
CN-1847246-A Galantamine derivative and its prepn process and use UNIV ZHEJIANG (CN) 2006-10-18 CN disclosed