SCHEMBL30869586

SCHEMBL30869586

CN1CCN(CCN2c3ccc(-c4ccc5c(c4)CC(=O)N5)cc3Sc3cc(-c4ccc5c(c4)CC(=O)N5)ccc32)CC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 6/20 0.50
PDE3B Q13370 1/20 0.45
PDE3A Q14432 1/20 0.45
MAP3K11 Q16584 1/20 0.43
PDE4A P27815 1/20 0.43
PDE4B Q07343 1/20 0.43
PDE4C Q08493 1/20 0.43
PDE4D Q08499 1/20 0.43
ABCB1 P08183 1/20 0.43
PGR P06401 3/20 0.43
GRIA1 P42261 2/20 0.43
CACNG8 Q8WXS5 2/20 0.43
HTR1A P08908 2/20 0.41
DRD2 P14416 2/20 0.41
HTR2A P28223 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP11B1 P15538 1/20 0.41
CYP11B2 P19099 1/20 0.41
BMPR1B O00238 1/20 0.40
BMPR1A P36894 1/20 0.40

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
SCHEMBL30869576 0.73 KDM1A (0.50) KDM1AMAP3K11ABCB1ACVR1
SCHEMBL30869720 0.72 KDM1A (0.64) KDM1APDE4DABCB1PGRHTR1A
SCHEMBL27324095 0.68 KDM1A (0.46) KDM1APDE4DABCB1PGRHTR1A
SCHEMBL3132725 0.66 PGR (0.73) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL27859220 0.65 PDE3B (0.64) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL30869478 0.65 ROCK2 (0.51) KDM1AABCB1ACVR1
SCHEMBL4658686 0.65 PDE3B (0.59) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL1897593 0.65 PDE3B (0.68) PDE3BPDE3APGRGRIA1CACNG8
SCHEMBL10711906 0.65 PDE3B (0.68) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL1900155 0.65 AHR (0.77) PDE3BPDE3APDE4APDE4BPDE4C

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-4583868-A2 DYNAMIN ACTIVATORS Walden Biosciences, Inc. (US) 2025-07-16 EP disclosed
WO-2024054661-A2 DYNAMIN ACTIVATORS WALDEN BIOSCIENCES (US) 2024-03-14 WO disclosed