SCHEMBL30768580

SCHEMBL30768580

O=CC1CCN(c2ccc([C@@H]3c4ccc(O)cc4CC[C@@H]3CC(F)(F)F)cc2)CC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 18/20 0.39
ESR2 Q92731 14/20 0.39
CRBN Q96SW2 1/20 0.37
MLNR O43193 1/20 0.36
NR1I2 O75469 1/20 0.36
NR3C1 P04150 1/20 0.36
CHRM2 P08172 1/20 0.36
ADRB1 P08588 1/20 0.36
ADRA2A P08913 1/20 0.36
ADORA3 P0DMS8 1/20 0.36
CHRM1 P11229 1/20 0.36
DRD2 P14416 1/20 0.36
ADRA2B P18089 1/20 0.36
ADRA2C P18825 1/20 0.36
CHRM3 P20309 1/20 0.36
SLC6A2 P23975 1/20 0.36
NPY1R P25929 1/20 0.36
HTR2A P28223 1/20 0.36
HTR2C P28335 1/20 0.36
AVPR2 P30518 1/20 0.36

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
SCHEMBL30768577 1.00 ESR1 (0.39) ESR1ESR2CRBNMLNRNR1I2
SCHEMBL30769262 1.00 ESR1 (0.39) ESR1ESR2CRBNMLNRNR1I2
SCHEMBL27083141 0.91 ESR1 (0.39) ESR1ESR2CRBNMLNRNR1I2
SCHEMBL30768821 0.88 ESR1 (0.41) ESR1ESR2CRBNMLNRNR1I2
SCHEMBL30769167 0.88 ESR1 (0.41) ESR1ESR2CRBNMLNRNR1I2
SCHEMBL29966494 0.87 ESR1 (0.43) ESR1ESR2CRBNMLNRNR1I2
SCHEMBL27081586 0.87 ESR1 (0.43) ESR1ESR2CRBNMLNRNR1I2
SCHEMBL30773568 0.86 ESR1 (0.40) ESR1ESR2CRBNDRD2DRD3
SCHEMBL29966734 0.86 ESR1 (0.44) ESR1ESR2CRBNMLNRNR1I2
SCHEMBL29966401 0.86 ESR1 (0.44) ESR1ESR2CRBNMLNRNR1I2

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