SCHEMBL31420176

SCHEMBL31420176

CC(C)(C)OC(=O)N1CCN(CCOC(c2ccccc2)c2ccc(-c3ccccc3)cc2)CC1

nearest known ligand 0.56

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 6/20 0.54
SLC6A3 Q01959 6/20 0.54
HRH1 P35367 1/20 0.49
HRH4 Q9H3N8 1/20 0.49
SIGMAR1 Q99720 1/20 0.49

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
SCHEMBL31420190 0.90 SLC6A4 (0.62) SLC6A4SLC6A3HRH1
SCHEMBL10737014 0.80 KDM4E (0.62) SLC6A4SLC6A3
SCHEMBL11932534 0.77 FAAH (0.57)
SCHEMBL18135536 0.77 KCNA5 (0.64)
SCHEMBL29299780 0.75 EPHX2 (0.55) HRH1SIGMAR1
SCHEMBL13171609 0.75 USP2 (0.45)
SCHEMBL8380925 0.75 ABCB1 (0.54)
SCHEMBL8380927 0.75 ABCB1 (0.54)
SCHEMBL3712707 0.74 MEN1 (0.59) SIGMAR1
SCHEMBL31420201 0.74 SIGMAR1 (0.86) SLC6A4SLC6A3SIGMAR1

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-2025058989-A1 NOVEL COMPOUNDS FOR TREATING CANCER MARSAL THERAPEUTICS, INC. (US) 2025-03-20 WO disclosed