SCHEMBL30717686

SCHEMBL30717686

CN(C(=O)N1CCc2nc(N3C4CCC3CN(C(=O)OCc3ccccc3)C4)sc2C1)C1CCCC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.38
GAA P10253 3/20 0.38
MAPT P10636 3/20 0.38
MEN1 O00255 1/20 0.38
HPGD P15428 1/20 0.38
ALOX15 P16050 1/20 0.38
KMT2A Q03164 1/20 0.38
HSD17B10 Q99714 1/20 0.38
RAB9A P51151 4/20 0.38
NPC1 O15118 3/20 0.38
SIGMAR1 Q99720 7/20 0.38
TMEM97 Q5BJF2 6/20 0.38
HTR1A P08908 2/20 0.38
HRH2 P25021 2/20 0.38
HRH1 P35367 2/20 0.38
HRH3 Q9Y5N1 2/20 0.38
CHRM4 P08173 1/20 0.38
CHRM5 P08912 1/20 0.38
ADRA2A P08913 1/20 0.38
ADRA2B P18089 1/20 0.38

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
SCHEMBL30717616 0.85 GRM5 (0.48) ALDH1A1GAAMAPTMEN1HPGD
SCHEMBL30717617 0.85 GRM5 (0.48) ALDH1A1GAAMAPTMEN1HPGD
SCHEMBL30717630 0.85 GRM5 (0.47) ALDH1A1GAAMAPTMEN1HPGD
SCHEMBL30717655 0.85 NPC1 (0.41) ALDH1A1GAAMAPTMEN1HPGD
SCHEMBL30717603 0.84 POLB (0.41) ALDH1A1GAAMAPTMEN1HPGD
SCHEMBL30717693 0.84 GCK (0.46) ALDH1A1GAAMAPTMEN1HPGD
SCHEMBL30790991 0.83 SIGMAR1 (0.44) RAB9ANPC1SIGMAR1TMEM97HTR1A
SCHEMBL30717553 0.81 BCL9 (0.38) ALDH1A1GAAMAPTMEN1HPGD
SCHEMBL30717626 0.80 F13A1 (0.40) ALDH1A1GAAMAPTKMT2ARAB9A
SCHEMBL30717385 0.80 MEN1 (0.46) ALDH1A1GAAMAPTMEN1HPGD

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4572762-A1 COMPOUNDS AND THEIR USE AS PDE4 ACTIVATORS Mironid Limited (GB) 2025-06-25 EP disclosed
WO-2024038128-A1 COMPOUNDS AND THEIR USE AS PDE4 ACTIVATORS MIRONID LIMITED (GB) 2024-02-22 WO disclosed