SCHEMBL31412656

SCHEMBL31412656

CC(C)(C)OC(=O)N1CCC(c2cc3ccccc3s2)C1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 1/20 0.52
HPGDS O60760 3/20 0.50
ACKR3 P25106 1/20 0.49
DRD2 P14416 1/20 0.49
SLC6A4 P31645 1/20 0.49
PDE4B Q07343 1/20 0.47
GPR119 Q8TDV5 2/20 0.46
KDM4E B2RXH2 1/20 0.45
MAPT P10636 1/20 0.45
THRB P10828 1/20 0.45
USP30 Q70CQ3 3/20 0.43
NAMPT P43490 1/20 0.43
TRPV3 Q8NET8 1/20 0.42
JAK2 O60674 1/20 0.42
JAK1 P23458 1/20 0.42

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
SCHEMBL8252700 0.84 MMP13 (0.51) MMP13HPGDSACKR3SLC6A4PDE4B
SCHEMBL8252142 0.82 MMP13 (0.49) MMP13ACKR3SLC6A4PDE4BGPR119
SCHEMBL7099217 0.81 GPR119 (0.51) MMP13HPGDSGPR119KDM4EMAPT
SCHEMBL9196150 0.80 MEN1 (0.45) MMP13ACKR3DRD2SLC6A4PDE4B
SCHEMBL1280710 0.79 ACKR3 (0.46) MMP13HPGDSACKR3DRD2SLC6A4
SCHEMBL11877235 0.79 DRD2 (0.60) DRD2SLC6A4KDM4EMAPT
SCHEMBL25238399 0.79 NAMPT (0.56) MMP13HPGDSGPR119KDM4EMAPT
SCHEMBL30456397 0.79 NAMPT (0.56) MMP13HPGDSGPR119KDM4EMAPT
SCHEMBL25274350 0.79 GPR119 (0.52) HPGDSGPR119KDM4EMAPTTHRB
SCHEMBL1862245 0.78 KDM2B (0.59) MMP13HPGDSACKR3MAPTUSP30

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
WO-2025045746-A1 PYRAZOLE DERIVATIVES AS SARM1 INHIBITORS USEFUL FOR THE TREATMENT OF NEURODEGENERATIVE DISORDERS F. HOFFMANN-LA ROCHE AG (CH) 2025-03-06 WO disclosed