SCHEMBL29587147

SCHEMBL29587147

O=C1CCC(N(c2cccc3ccccc23)c2cccc3ccccc23)CC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP8 Q6V1X1 1/20 0.42
DPP9 Q86TI2 1/20 0.42
DPP7 Q9UHL4 1/20 0.42
SIGMAR1 Q99720 4/20 0.39
HTR1A P08908 2/20 0.38
HTR7 P34969 2/20 0.38
KDM4E B2RXH2 2/20 0.36
ALDH1A1 P00352 2/20 0.35
MAPT P10636 2/20 0.35
HTR2A P28223 1/20 0.35
HTR2C P28335 1/20 0.35
MEN1 O00255 2/20 0.34
RAB9A P51151 2/20 0.34
KMT2A Q03164 2/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
PLA2G6 O60733 3/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
MAPK1 P28482 2/20 0.34
FAAH O00519 1/20 0.34
NPC1 O15118 1/20 0.34

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
SCHEMBL21047600 1.00 DPP8 (0.42) DPP8DPP9DPP7SIGMAR1HTR1A
SCHEMBL29586908 0.86 HTR1A (0.36) DPP8DPP9DPP7SIGMAR1HTR1A
SCHEMBL21047683 0.84 HTR1A (0.35) DPP8DPP9DPP7SIGMAR1HTR1A
SCHEMBL21047584 0.84 HTR1A (0.35) DPP8DPP9DPP7SIGMAR1HTR1A
SCHEMBL21047595 0.84 HTR1A (0.35) DPP8DPP9DPP7SIGMAR1HTR1A
SCHEMBL21047735 0.77 HTR1A (0.38) HTR1AHTR7KDM4EALDH1A1HTR2A
SCHEMBL29586328 0.75 DDB1 (0.43) ALDH1A1MAPTHTR2CRAB9ASMN1; SMN2
SCHEMBL21047747 0.75 DDB1 (0.43) ALDH1A1MAPTHTR2CRAB9ASMN1; SMN2
SCHEMBL21047648 0.73 SLC6A4 (0.43) KDM4EALDH1A1MAPTHTR2CMEN1
SCHEMBL21047840 0.71 SLC6A2 (0.39) ALDH1A1MEN1KMT2AALOX15

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