SCHEMBL30717596

SCHEMBL30717596

O=C(OCc1ccccc1)N1CC2CCC(C1)N2c1nc2c(s1)CNCC2

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
CYP2C19 P33261 1/20 0.39
GRIN2B Q13224 6/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
NPSR1 Q6W5P4 1/20 0.39
HTR2C P28335 1/20 0.38
CHRM4 P08173 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
ALDH1A1 P00352 1/20 0.36
GAA P10253 1/20 0.36
MAPT P10636 1/20 0.36
HPGD P15428 1/20 0.36
ALOX15 P16050 1/20 0.36
HSD17B10 Q99714 1/20 0.36
JAK2 O60674 1/20 0.36
JAK1 P23458 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
SCHEMBL30717600 0.92 SMN1; SMN2 (0.42) SMN1; SMN2NPC1RAB9ACYP2C19GRIN2B
SCHEMBL19283878 0.83 SLC29A1 (0.47) SMN1; SMN2NPC1RAB9ACYP2C19GRIN2B
SCHEMBL30717623 0.81 SMN1; SMN2 (0.39) SMN1; SMN2NPC1RAB9ACYP2C19GRIN2B
SCHEMBL30717616 0.80 GRM5 (0.48) SMN1; SMN2NPC1RAB9ACYP2C19MEN1
SCHEMBL30717617 0.80 GRM5 (0.48) SMN1; SMN2NPC1RAB9ACYP2C19MEN1
SCHEMBL30790943 0.80 SMN1; SMN2 (0.41) SMN1; SMN2NPC1RAB9ACYP2C19GRIN2B
SCHEMBL30717655 0.80 NPC1 (0.41) SMN1; SMN2NPC1RAB9ACYP2C19MEN1
Hydrochloric Acid SCHEMBL30790964 0.80 SMN1; SMN2 (0.40) SMN1; SMN2NPC1RAB9ACYP2C19GRIN2B
SCHEMBL30717385 0.80 MEN1 (0.46) SMN1; SMN2NPC1RAB9ACYP2C19GRIN2B
SCHEMBL8858698 0.79 SMN1; SMN2 (0.49) SMN1; SMN2NPC1RAB9ACYP2C19GRIN2B

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