SCHEMBL31158032

SCHEMBL31158032

C[C@@H]1CN(C2CCc3cc(Br)ccc32)C[C@H](C)O1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRD5A1 P18405 1/20 0.42
HTT P42858 2/20 0.40
ALDH1A1 P00352 3/20 0.38
CCR5 P51681 1/20 0.37
POLB P06746 2/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
NPC1 O15118 1/20 0.36
TSHR P16473 1/20 0.36
LMNA P02545 1/20 0.36
RECQL P46063 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
OPRM1 P35372 2/20 0.35
OPRD1 P41143 1/20 0.35
OPRK1 P41145 1/20 0.35
HSD17B10 Q99714 1/20 0.34
TP53 P04637 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
KDM4E B2RXH2 1/20 0.34

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
SCHEMBL24570929 0.80 SRD5A1 (0.42) SRD5A1CCR5LMNASMN1; SMN2OPRM1
SCHEMBL24570919 0.79 SRD5A1 (0.44) SRD5A1CCR5LMNAOPRM1OPRD1
SCHEMBL31158034 0.79 SRD5A1 (0.44) SRD5A1CCR5LMNAOPRM1OPRD1
SCHEMBL2571011 0.78 SRD5A1 (0.48) SRD5A1CCR5OPRM1OPRD1OPRK1
SCHEMBL2571280 0.78 SRD5A1 (0.48) SRD5A1CCR5OPRM1OPRD1OPRK1
SCHEMBL2572769 0.78 SRD5A1 (0.48) SRD5A1CCR5OPRM1OPRD1OPRK1
SCHEMBL3866433 0.77 CHRNA7 (0.46) SRD5A1OPRM1OPRD1OPRK1
SCHEMBL22494227 0.77 SRD5A1 (0.41) SRD5A1OPRM1OPRD1OPRK1
SCHEMBL31151861 0.77 SRD5A1 (0.41) SRD5A1OPRM1OPRD1OPRK1
Ammonia Solution, Strong SCHEMBL9985508 0.76 SRD5A1 (0.46) SRD5A1CCR5OPRM1OPRD1OPRK1

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