SCHEMBL29050293

SCHEMBL29050293

CC1CNCCN1C(=O)c1ccc(C(F)(F)F)cc1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.48
MEN1 O00255 1/20 0.48
TSHR P16473 1/20 0.48
KMT2A Q03164 1/20 0.48
GAA P10253 2/20 0.46
TDP1 Q9NUW8 1/20 0.45
SMO Q99835 1/20 0.43
MAOB P27338 1/20 0.43
HSD11B1 P28845 1/20 0.42
DPP4 P27487 1/20 0.42
KCNH2 Q12809 2/20 0.42
TACR3 P29371 1/20 0.42
MCHR1 Q99705 1/20 0.42
MGLL Q99685 1/20 0.41
EPHX2 P34913 1/20 0.41
CA1 P00915 2/20 0.41
CA2 P00918 2/20 0.41
CA4 P22748 2/20 0.41
CA9 Q16790 2/20 0.41

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
SCHEMBL29967247 0.85 GAA (0.49) HPGDMEN1KMT2AGAAHSD11B1
SCHEMBL29967082 0.85 GAA (0.49) HPGDMEN1KMT2AGAAHSD11B1
Hydrochloric Acid SCHEMBL3714221 0.83 HPGD (0.48) HPGDMEN1KMT2AGAAHSD11B1
SCHEMBL30671639 0.83 GAA (0.50) HPGDMEN1KMT2AGAACA1
Trifluoroacetic Acid SCHEMBL1763151 0.83 SIGMAR1 (0.47) HPGDGAASMODPP4CA1
Trifluoroacetic Acid SCHEMBL1763153 0.83 SIGMAR1 (0.47) HPGDGAASMODPP4CA1
SCHEMBL13727453 0.82 HPGD (0.49) HPGDGAAHSD11B1DPP4MGLL
SCHEMBL20750497 0.82 HPGD (0.49) HPGDGAAHSD11B1DPP4MGLL
SCHEMBL1090149 0.81 SIGMAR1 (0.54) HPGDTSHRGAASMODPP4
SCHEMBL1763575 0.81 SIGMAR1 (0.54) HPGDTSHRGAASMODPP4

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-116568301-A Bicyclic compounds for treating diseases and uses thereof 雅斯娜制药公司 2023-08-08 CN disclosed