SCHEMBL27424910

SCHEMBL27424910

CCCC(C)(C)CCN(C)C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DNM1 Q05193 3/20 0.38
ALDH1A1 P00352 2/20 0.35
DRD2 P14416 2/20 0.35
HTR1A P08908 1/20 0.35
HTR2A P28223 1/20 0.35
HTR7 P34969 1/20 0.35
TSHR P16473 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
ESR1 P03372 1/20 0.32
CA12 O43570 1/20 0.32
CA2 P00918 1/20 0.32
CA3 P07451 1/20 0.32
CA4 P22748 1/20 0.32
CA6 P23280 1/20 0.32
CA5A P35218 1/20 0.32
CA7 P43166 1/20 0.32
CA9 Q16790 1/20 0.32
CA14 Q9ULX7 1/20 0.32
CA5B Q9Y2D0 1/20 0.32
OPRM1 P35372 1/20 0.31

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
SCHEMBL23192219 0.84 DNM1 (0.46) DNM1ALDH1A1DRD2HTR1AHTR2A
SCHEMBL20214874 0.84 DNM1 (0.46) DNM1ALDH1A1DRD2HTR1AHTR2A
SCHEMBL25766398 0.82 DNM1 (0.50) DNM1ALDH1A1DRD2HTR1AHTR2A
SCHEMBL16256528 0.80 DRD2 (0.36) DNM1ALDH1A1DRD2HTR1AHTR2A
SCHEMBL22674611 0.79 ARG1 (0.34) OPRM1
SCHEMBL19381504 0.79
SCHEMBL20145375 0.79
SCHEMBL55485 0.78
SCHEMBL17030310 0.78 HTR1A (0.35) ALDH1A1DRD2HTR1AHTR2AHTR7
SCHEMBL16260083 0.78 DNM1 (0.38) DNM1ALDH1A1DRD2HTR1AHTR2A

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-2024129463-A1 ANION EXCHANGE POLYMERS AND MEMBRANES FOR ELECTROLYSIS UOP LLC (US) 2024-06-20 WO disclosed