SCHEMBL24153550

SCHEMBL24153550

O=C1CN(Cc2ccc3c(c2)CCN3Sc2cccc(OC3CCCC3)c2)C(=O)N1

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ BACE1 P56817 1/20 0.33
▸ GAA P10253 2/20 0.33
▸ GRM2 Q14416 1/20 0.33
▸ PDE4B Q07343 2/20 0.32
▸ OPRK1 P41145 1/20 0.32
▸ DUT P33316 2/20 0.32
▸ ACACB O00763 2/20 0.32
▸ BRS3 P32247 2/20 0.32
▸ DRD2 P14416 1/20 0.32
▸ ADRA1D P25100 1/20 0.32
▸ SLC6A4 P31645 1/20 0.32
▸ ADRA1A P35348 1/20 0.32
▸ ADRA1B P35368 1/20 0.32
▸ DDB1 Q16531 1/20 0.31
▸ CRBN Q96SW2 1/20 0.31

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
SCHEMBL21536626 0.81 CYP11B1 (0.44) DUTDRD2
SCHEMBL21536693 0.74 DUT (0.41) PDE4BDUTDDB1CRBN
SCHEMBL20201711 0.74 DUT (0.47) GAAGRM2PDE4BDUT
SCHEMBL23996254 0.71 KDM1A (0.42) DRD2
SCHEMBL20189396 0.69 DUT (0.49) GAADUT
SCHEMBL24154720 0.68 GRM2 (0.30) GRM2
SCHEMBL21536692 0.68 HTR6 (0.46) DUT
SCHEMBL21536095 0.67 DUT (0.46) GRM2DUTDRD2ADRA1DSLC6A4
SCHEMBL21536743 0.67 DUT (0.47) GRM2DUTDDB1CRBN
SCHEMBL21536086 0.67 DUT (0.47) GRM2DUTDDB1CRBN

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-2021263205-A1 COMBINATION THERAPY WITH DEOXYURIDINE TRIPHOSPHATASE INHIBITORS CV6 THERAPEUTICS (NI) LIMITED (GB) 2021-12-30 — — WO disclosed
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