SCHEMBL31158034

SCHEMBL31158034

CC1CCN(C2CCc3cc(Br)ccc32)CC1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SRD5A1 P18405 1/20 0.44
LMNA P02545 1/20 0.39
PKM P14618 1/20 0.39
KDM4E B2RXH2 1/20 0.39
CCR5 P51681 1/20 0.38
OPRM1 P35372 3/20 0.37
OPRD1 P41143 2/20 0.37
OPRK1 P41145 2/20 0.37
CHRNA7 P36544 1/20 0.36
MAPT P10636 2/20 0.36
MTNR1B P49286 1/20 0.35
SLC6A4 P31645 1/20 0.35
HTR2A P28223 1/20 0.35
HTR2C P28335 1/20 0.35
HTR2B P41595 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 1.00 SRD5A1 (0.44) SRD5A1LMNAPKMKDM4ECCR5
SCHEMBL24570929 0.91 SRD5A1 (0.42) SRD5A1LMNAPKMKDM4ECCR5
SCHEMBL2571280 0.86 SRD5A1 (0.48) SRD5A1CCR5OPRM1OPRD1OPRK1
SCHEMBL2572769 0.86 SRD5A1 (0.48) SRD5A1CCR5OPRM1OPRD1OPRK1
SCHEMBL2571011 0.86 SRD5A1 (0.48) SRD5A1CCR5OPRM1OPRD1OPRK1
SCHEMBL3866433 0.86 CHRNA7 (0.46) SRD5A1OPRM1OPRD1OPRK1CHRNA7
SCHEMBL31158036 0.84 SRD5A1 (0.41) SRD5A1
SCHEMBL31158043 0.84 SRD5A1 (0.41) SRD5A1OPRM1OPRD1OPRK1CHRNA7
SCHEMBL31158042 0.82 SRD5A1 (0.42) SRD5A1CCR5MTNR1B
SCHEMBL13860426 0.82 TAAR1 (0.43) SRD5A1HTR2AHTR2CHTR2B

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