SCHEMBL30768653

SCHEMBL30768653

COC(OC)C1CCN(c2ccc(C3=C(c4ccc5c(c4)CCC5)CCc4cc(OCc5ccccc5)ccc43)cc2)CC1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 7/20 0.46
HRH3 Q9Y5N1 8/20 0.43
CYP2D6 P10635 3/20 0.43
EBP Q15125 1/20 0.43
SIGMAR1 Q99720 1/20 0.43
ADRA1D P25100 1/20 0.42
ADRA1A P35348 1/20 0.42
ADRA1B P35368 1/20 0.42
MAOA P21397 1/20 0.41
MAOB P27338 1/20 0.41
HRH1 P35367 1/20 0.41
GRIN1 Q05586 1/20 0.39
GRIN2B Q13224 1/20 0.39

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
SCHEMBL30769426 0.98 ADRA1D (0.44) ESR1HRH3CYP2D6EBPSIGMAR1
SCHEMBL30769280 0.98 HRH3 (0.45) ESR1HRH3CYP2D6EBPSIGMAR1
SCHEMBL29632097 0.92 EBP (0.49) ESR1HRH3CYP2D6EBPSIGMAR1
SCHEMBL20211928 0.92 EBP (0.49) ESR1HRH3CYP2D6EBPSIGMAR1
SCHEMBL30768962 0.90 ESR1 (0.52) ESR1EBPSIGMAR1GRIN1GRIN2B
SCHEMBL30769002 0.89 ESR1 (0.46) ESR1EBPSIGMAR1GRIN1GRIN2B
SCHEMBL28963443 0.89 EBP (0.44) ESR1HRH3EBPSIGMAR1ADRA1D
SCHEMBL30340457 0.89 EBP (0.44) ESR1HRH3EBPSIGMAR1ADRA1D
SCHEMBL30768627 0.89 ESR1 (0.42) ESR1HRH3CYP2D6EBPSIGMAR1
SCHEMBL30769472 0.88 EBP (0.44) ESR1HRH3EBPSIGMAR1GRIN1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4543871-A1 ESTROGEN RECEPTOR ALPHA DEGRADERS AND USE THEREOF Relay Therapeutics, Inc. (US) 2025-04-30 EP disclosed
WO-2024006781-A1 ESTROGEN RECEPTOR ALPHA DEGRADERS AND USE THEREOF RELAY THERAPEUTICS, INC. (US) 2024-01-04 WO disclosed