SCHEMBL29587113

SCHEMBL29587113

O=C1CCC(Oc2ccc3ccccc3n2)CC1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCRTR2 O43614 2/20 0.44
MEN1 O00255 2/20 0.40
MAPT P10636 2/20 0.40
KMT2A Q03164 2/20 0.40
CHRNB2 P17787 1/20 0.39
CHRNB4 P30926 1/20 0.39
CHRNA3 P32297 1/20 0.39
CHRNA7 P36544 1/20 0.39
CHRNA4 P43681 1/20 0.39
KDM4E B2RXH2 1/20 0.38
DDB1 Q16531 1/20 0.38
CRBN Q96SW2 1/20 0.38
PDE10A Q9Y233 1/20 0.38
PDE9A O76083 1/20 0.38
PIM1 P11309 2/20 0.37
PIM2 Q9P1W9 2/20 0.37
NPC1 O15118 1/20 0.37
ALDH1A1 P00352 1/20 0.37
TP53 P04637 1/20 0.37
CYP3A4 P08684 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
SCHEMBL21047576 1.00 HCRTR2 (0.44) HCRTR2MEN1MAPTKMT2ACHRNB2
SCHEMBL29586878 0.80 HTT (0.45) MEN1KMT2AKDM4EPDE10APDE9A
SCHEMBL5461270 0.79 HRH1 (0.50) HCRTR2MEN1MAPTKMT2ACHRNB2
SCHEMBL30824488 0.79 PDE10A (0.45) HCRTR2MEN1MAPTKMT2APDE10A
SCHEMBL29587144 0.79 KDM4E (0.49) HCRTR2MAPTKDM4EDDB1CRBN
Hydrochloric Acid SCHEMBL5468114 0.78 HRH1 (0.49) HCRTR2MEN1MAPTKMT2AKDM4E
Hydrochloric Acid SCHEMBL29862885 0.78 HRH1 (0.49) HCRTR2MEN1MAPTKMT2AKDM4E
SCHEMBL16874930 0.76 HCRTR2 (0.43) HCRTR2MEN1MAPTKMT2ACHRNB2
SCHEMBL16874929 0.76 MEN1 (0.41) HCRTR2MEN1MAPTKMT2ACHRNB2
SCHEMBL16874927 0.76 MEN1 (0.41) HCRTR2MEN1MAPTKMT2ACHRNB2

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
CN-109563016-B Method for producing perfluoroalkyl compound using monohydroperfluoroalkane as starting material 关东电化工业株式会社 2022-05-13 CN disclosed