SCHEMBL30495437

SCHEMBL30495437

C[C@]1(COCCO)CCCN(C[C@H]2COc3ccc(F)cc3O2)C1

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 8/20 0.53
LTA4H P09960 1/20 0.39
ADRA2A P08913 2/20 0.39
ADRA2B P18089 2/20 0.39
ADRA2C P18825 2/20 0.39
ADRA1D P25100 1/20 0.39
ADRA1A P35348 1/20 0.39
ADRA1B P35368 1/20 0.39
SCN1A P35498 1/20 0.39
SCN2A Q99250 1/20 0.39
SCN3A Q9NY46 1/20 0.39
HTR1A P08908 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
SCHEMBL566721 1.00 DRD2 (0.53) DRD2LTA4HADRA2AADRA2BADRA2C
SCHEMBL567549 0.88 DRD2 (0.55) DRD2ADRA2AADRA2BADRA2CADRA1D
SCHEMBL567513 0.88 DRD2 (0.55) DRD2LTA4HADRA2AADRA2BADRA2C
SCHEMBL30495467 0.88 DRD2 (0.55) DRD2LTA4HADRA2AADRA2BADRA2C
SCHEMBL567512 0.88 DRD2 (0.55) DRD2LTA4HADRA2AADRA2BADRA2C
SCHEMBL566712 0.88 DRD2 (0.55) DRD2ADRA2AADRA2BADRA2CADRA1D
SCHEMBL566797 0.88 DRD2 (0.59) DRD2LTA4HADRA2AADRA2BADRA2C
SCHEMBL566798 0.88 DRD2 (0.59) DRD2LTA4HADRA2AADRA2BADRA2C
SCHEMBL30495418 0.88 DRD2 (0.59) DRD2LTA4HADRA2AADRA2BADRA2C
Hydrochloric Acid SCHEMBL31137875 0.87 DRD2 (0.54) DRD2LTA4HADRA2AADRA2BADRA2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4460298-A1 Alpha2-ADRENOCEPTOR SUBTYPE C ANTAGONISTS FOR THE TREATMENT OF SLEEP APNEA Bayer Aktiengesellschaft (DE) 2024-11-13 EP claimed
CN-118785902-A Alpha 2-adrenoceptor subtype C antagonists for the treatment of sleep apnea 拜耳公司 2024-10-15 CN claimed
WO-2023131640-A1 α2-ADRENOCEPTOR SUBTYPE C ANTAGONISTS FOR THE TREATMENT OF SLEEP APNEA BAYER AKTIENGESELLSCHAFT (DE) 2023-07-13 WO claimed
EP-4460298-A1 Alpha2-ADRENOCEPTOR SUBTYPE C ANTAGONISTS FOR THE TREATMENT OF SLEEP APNEA Bayer Aktiengesellschaft (DE) 2024-11-13 EP disclosed
CN-118785902-A Alpha 2-adrenoceptor subtype C antagonists for the treatment of sleep apnea 拜耳公司 2024-10-15 CN disclosed
WO-2023131640-A1 α2-ADRENOCEPTOR SUBTYPE C ANTAGONISTS FOR THE TREATMENT OF SLEEP APNEA BAYER AKTIENGESELLSCHAFT (DE) 2023-07-13 WO disclosed