SCHEMBL30724147

SCHEMBL30724147

COC(OC)C1CCN(c2ccc(C3=C(c4ccccc4)CCCc4c3ccc3c4c(F)nn3C3CCCCO3)cn2)CC1

nearest known ligand 0.32

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
RET P07949 1/20 0.32
ATR Q13535 1/20 0.31
DRD1 P21728 1/20 0.31
ESR1 P03372 1/20 0.30
ESR2 Q92731 1/20 0.30

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
SCHEMBL30723863 0.92 ATR (0.31) ATR
SCHEMBL30723815 0.92
SCHEMBL30724013 0.90 ESR1 (0.30) ESR1ESR2
SCHEMBL30723812 0.90
SCHEMBL30723813 0.86
SCHEMBL30723949 0.85 EHMT2 (0.33) ESR1ESR2
SCHEMBL30723926 0.85 EHMT2 (0.32)
SCHEMBL30723912 0.83
SCHEMBL30724025 0.83 ESR1 (0.32) ESR1
SCHEMBL30724076 0.82 ESR1 (0.35) ESR1

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-2024006776-A1 ESTROGEN RECEPTOR ALPHA DEGRADERS AND MEDICAL USE THEREOF RELAY THERAPEUTICS, INC. (US) 2024-01-04 WO disclosed