SCHEMBL28112798

SCHEMBL28112798

OCCN1CCCCC1N1CCNCC1

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 1/20 0.38
TDP1 Q9NUW8 1/20 0.33
RAD52 P43351 1/20 0.33
PKM P14618 1/20 0.31
KMT2A Q03164 1/20 0.31
CHRM5 P08912 1/20 0.31
CHRM3 P20309 1/20 0.31
SIGMAR1 Q99720 1/20 0.31
AGL P35573 1/20 0.30

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
SCHEMBL3711041 0.85 TDP1 (0.37) TDP1PKMKMT2ACHRM5
SCHEMBL3255618 0.79 GNAO1 (0.42) HTR6SIGMAR1
SCHEMBL3153303 0.75 HTR6 (0.37) HTR6CHRM5CHRM3SIGMAR1
SCHEMBL30493350 0.72 HTR6 (0.44) HTR6RAD52
SCHEMBL5605488 0.71 CHRM5 (0.36) CHRM5CHRM3SIGMAR1
Piperazine SCHEMBL27543387 0.70 CA1 (0.32) HTR6
SCHEMBL8481450 0.70 SIGMAR1 (0.50) KMT2ASIGMAR1
SCHEMBL3426506 0.70 SPHK2 (0.43) TDP1AGL
SCHEMBL1881164 0.70 TDP1 (0.39) TDP1PKMKMT2ACHRM5
Hydrochloric Acid SCHEMBL8483887 0.69 SIGMAR1 (0.49) KMT2ASIGMAR1

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-103827226-B Solidification compound 株式会社钟化 2016-12-07 CN disclosed