SCHEMBL22728537

SCHEMBL22728537

c1cc2ccc(N3CC4CNCC4C3)cc2s1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
BPTF Q12830 1/20 0.47
HTR1A P08908 1/20 0.41
DRD2 P14416 1/20 0.41
HTR2A P28223 1/20 0.41
SLC6A2 P23975 3/20 0.41
SLC6A4 P31645 3/20 0.41
SLC6A3 Q01959 3/20 0.41
CHRNB2 P17787 3/20 0.40
CHRNA4 P43681 3/20 0.40
CHRNA7 P36544 3/20 0.40
KHK P50053 1/20 0.38
HTR3E A5X5Y0 1/20 0.36
HTR3B O95264 1/20 0.36
CHRNB4 P30926 1/20 0.36
CHRNA3 P32297 1/20 0.36
HTR3A P46098 1/20 0.36
HTR3D Q70Z44 1/20 0.36
HTR3C Q8WXA8 1/20 0.36
CYP17A1 P05093 1/20 0.36

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
Maleic Acid SCHEMBL22721144 0.89 BPTF (0.41) BPTFHTR1ADRD2HTR2ASLC6A2
SCHEMBL22728587 0.88 BPTF (0.47) BPTFHTR1ASLC6A2SLC6A4SLC6A3
Maleic Acid SCHEMBL22721031 0.78 SIGMAR1 (0.43) BPTFCHRNB2CHRNA4CHRNA7
SCHEMBL22728605 0.75 BPTF (0.44) BPTFCHRNB2CHRNA4CHRNA7KHK
SCHEMBL29732528 0.75 BPTF (0.44) BPTFCHRNB2CHRNA4CHRNA7KHK
Hydrochloric Acid SCHEMBL29732532 0.74 BPTF (0.43) BPTFCHRNB2CHRNA4CHRNA7KHK
Hydrochloric Acid SCHEMBL22721131 0.74 BPTF (0.43) BPTFCHRNB2CHRNA4CHRNA7KHK
SCHEMBL22721059 0.74 BPTF (0.62) BPTFCHRNB2CHRNA4CHRNA7KHK
SCHEMBL29604990 0.74 TERT (0.50) HTR1ADRD2HTR2ASLC6A2SLC6A4
SCHEMBL22728519 0.74 SLC6A2 (0.42) HTR1ADRD2HTR2ASLC6A2SLC6A4

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-2020239073-A1 FUSED RING COMPOUND, PREPARATION METHOD THEREFOR AND USE THEREOF 中国科学院上海药物研究所 2020-12-03 WO disclosed