SCHEMBL31158043

SCHEMBL31158043

COC1CCN(C2CCc3cc(Br)ccc32)CC1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SRD5A1 P18405 1/20 0.41
MTNR1B P49286 6/20 0.38
MTNR1A P48039 4/20 0.37
OPRM1 P35372 1/20 0.36
OPRD1 P41143 1/20 0.36
OPRK1 P41145 1/20 0.36
SLC6A4 P31645 1/20 0.36
DRD2 P14416 1/20 0.35
DRD1 P21728 1/20 0.35
DRD4 P21917 1/20 0.35
DRD5 P21918 1/20 0.35
DRD3 P35462 1/20 0.35
CHRNA7 P36544 1/20 0.35
BACE1 P56817 1/20 0.35

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
SCHEMBL24570919 0.84 SRD5A1 (0.44) SRD5A1MTNR1BOPRM1OPRD1OPRK1
SCHEMBL31158034 0.84 SRD5A1 (0.44) SRD5A1MTNR1BOPRM1OPRD1OPRK1
SCHEMBL2571011 0.82 SRD5A1 (0.48) SRD5A1MTNR1BMTNR1AOPRM1OPRD1
SCHEMBL2571280 0.82 SRD5A1 (0.48) SRD5A1MTNR1BMTNR1AOPRM1OPRD1
SCHEMBL2572769 0.82 SRD5A1 (0.48) SRD5A1MTNR1BMTNR1AOPRM1OPRD1
SCHEMBL3866433 0.82 CHRNA7 (0.46) SRD5A1OPRM1OPRD1OPRK1CHRNA7
SCHEMBL29739069 0.81 ALDH1A1 (0.47) SRD5A1MTNR1BMTNR1A
SCHEMBL24570576 0.81 ALDH1A1 (0.47) SRD5A1MTNR1BMTNR1A
SCHEMBL31158036 0.81 SRD5A1 (0.41) SRD5A1
SCHEMBL24570929 0.79 SRD5A1 (0.42) SRD5A1OPRM1OPRD1OPRK1SLC6A4

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
CN-118745144-A Novel EZH2 inhibitor compound, and preparation method and application thereof 辽宁大学 2024-10-08 CN disclosed