SCHEMBL23453040

SCHEMBL23453040

CCC[C@@H]1CCCCC1CNC(C)=O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.52
CA2 P00918 1/20 0.52
CA4 P22748 1/20 0.52
MTNR1A P48039 2/20 0.38
MTNR1B P49286 1/20 0.38
EPHX1 P07099 3/20 0.37
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
MME P08473 1/20 0.35
FAP Q12884 2/20 0.34
NAAA Q02083 1/20 0.34
FUCA1 P04066 1/20 0.34
DPP4 P27487 1/20 0.34
PREP P48147 1/20 0.34
CACNA1H O95180 1/20 0.34
ACACB O00763 1/20 0.33
ACACA Q13085 1/20 0.33
ADRA2A P08913 2/20 0.33
ADRA2B P18089 2/20 0.33
ADRA2C P18825 2/20 0.33

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
SCHEMBL13809939 0.85 EPHX1 (0.39) CA1CA2CA4MTNR1AMTNR1B
SCHEMBL1866565 0.84 FUCA1 (0.40) MTNR1AMTNR1BEPHX1KDM4EALDH1A1
SCHEMBL30421032 0.79 CA1 (0.47) CA1CA2CA4EPHX1FAP
SCHEMBL12900726 0.77 EPHX1 (0.41) CA1CA2CA4EPHX1KDM4E
SCHEMBL13809942 0.76 CYP2C9 (0.38) MTNR1AMTNR1BEPHX1KDM4EFAP
SCHEMBL13809941 0.76 CYP2C9 (0.38) MTNR1AMTNR1BEPHX1KDM4EFAP
SCHEMBL11591596 0.74 CA1 (0.67) CA1CA2CA4MMEDPP4
SCHEMBL29315198 0.74 CA1 (0.52) CA1CA2CA4EPHX1KDM4E
SCHEMBL21594455 0.74 CA1 (0.50) CA1CA2CA4MMEADRA2A
SCHEMBL12948043 0.72 CA1 (0.48) CA1CA2CA4ADRA2AADRA2B

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
EP-3828179-A1 CYANOPYRROLIDINES AS DUB MODULATORS Mission Therapeutics Limited (GB) 2021-06-02 EP disclosed