SCHEMBL30769247

SCHEMBL30769247

O=CC1CCN(c2ccc([C@@H]3c4ccc(O)cc4CC[C@@H]3C3CCCCC3)cc2)CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 17/20 0.43
ESR2 Q92731 12/20 0.43
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
SLC6A4 P31645 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
SCHEMBL30768686 1.00 ESR1 (0.43) ESR1ESR2MLNRNR1I2NR3C1
SCHEMBL30768750 1.00 ESR1 (0.43) ESR1ESR2MLNRNR1I2NR3C1
SCHEMBL30768538 1.00 ESR1 (0.43) ESR1ESR2MLNRNR1I2NR3C1
SCHEMBL30769044 0.99 ESR1 (0.43) ESR1ESR2MLNRNR1I2NR3C1
SCHEMBL30768954 0.99 ESR1 (0.43) ESR1ESR2MLNRNR1I2NR3C1
SCHEMBL27081332 0.95 ESR1 (0.44) ESR1ESR2MLNRNR1I2NR3C1
SCHEMBL27081311 0.91 ESR1 (0.51) ESR1ESR2CYP19A1CRBN
SCHEMBL27082734 0.91 ESR1 (0.51) ESR1ESR2CYP19A1CRBN
SCHEMBL30768877 0.89 ESR1 (0.44) ESR1ESR2NR3C1SLC6A4HTR2B
SCHEMBL30769229 0.89 ESR1 (0.53) ESR1ESR2SLC6A4HTR2BSLC6A3

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 3 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
EP-4317146-A1 TETRAHYDRONAPHTHALENE COMPOUND, AND PREPARATION METHOD THEREFOR AND USE THEREOF IN MEDICINE Jiangsu Hengrui Pharmaceuticals Co., Ltd. (CN) 2024-02-07 EP disclosed
WO-2024006781-A1 ESTROGEN RECEPTOR ALPHA DEGRADERS AND USE THEREOF RELAY THERAPEUTICS, INC. (US) 2024-01-04 WO disclosed