SCHEMBL30717548

SCHEMBL30717548

O=C(OCc1ccccc1)N1CC2CCC(C1)N2c1nc2c(s1)CN(S(=O)(=O)CC1CCCC1)CC2

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.41
NPC1 O15118 4/20 0.41
KMT2A Q03164 1/20 0.41
GRM5 P41594 2/20 0.38
SMN1; SMN2 Q16637 3/20 0.37
ALDH1A1 P00352 2/20 0.37
GAA P10253 2/20 0.37
MAPT P10636 2/20 0.37
KDM4E B2RXH2 1/20 0.37
TMEM97 Q5BJF2 5/20 0.36
SIGMAR1 Q99720 5/20 0.36
HTR1A P08908 2/20 0.36
HRH2 P25021 2/20 0.36
HRH1 P35367 2/20 0.36
HRH3 Q9Y5N1 2/20 0.36
CHRM4 P08173 1/20 0.36
CHRM5 P08912 1/20 0.36
ADRA2A P08913 1/20 0.36
ADRA2B P18089 1/20 0.36
ADRA1D P25100 1/20 0.36

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
SCHEMBL30717626 0.88 F13A1 (0.40) RAB9ANPC1KMT2AGRM5SMN1; SMN2
SCHEMBL30717630 0.85 GRM5 (0.47) RAB9ANPC1KMT2AGRM5SMN1; SMN2
SCHEMBL30717617 0.82 GRM5 (0.48) RAB9ANPC1KMT2AGRM5SMN1; SMN2
SCHEMBL30717616 0.82 GRM5 (0.48) RAB9ANPC1KMT2AGRM5SMN1; SMN2
SCHEMBL30717603 0.81 POLB (0.41) RAB9ANPC1KMT2AGRM5SMN1; SMN2
SCHEMBL30717568 0.80 SMN1; SMN2 (0.38) RAB9ANPC1KMT2AGRM5SMN1; SMN2
SCHEMBL30717655 0.80 NPC1 (0.41) RAB9ANPC1KMT2AGRM5SMN1; SMN2
SCHEMBL30717686 0.80 ALDH1A1 (0.38) RAB9ANPC1KMT2AGRM5SMN1; SMN2
SCHEMBL30717693 0.79 GCK (0.46) RAB9ANPC1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL30717414 0.76 NPC1 (0.38) RAB9ANPC1KMT2AGRM5

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