SCHEMBL30495446

SCHEMBL30495446

CC(=O)SC[C@@]1(C)CCCN(C[C@H]2COc3ccccc3O2)C1

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 8/20 0.57
ADRA2A P08913 1/20 0.53
ADRA2B P18089 1/20 0.53
ADRA2C P18825 1/20 0.53
ADRA1D P25100 1/20 0.53
ADRA1A P35348 1/20 0.53
ADRA1B P35368 1/20 0.53
SCN1A P35498 1/20 0.53
SCN2A Q99250 1/20 0.53
SCN3A Q9NY46 1/20 0.53
HTR1A P08908 1/20 0.44
SIGMAR1 Q99720 1/20 0.44
OPRL1 P41146 1/20 0.44
MTNR1A P48039 1/20 0.43
LTA4H P09960 1/20 0.42

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
SCHEMBL566705 1.00 DRD2 (0.57) DRD2ADRA2AADRA2BADRA2CADRA1D
SCHEMBL568055 0.86 DRD2 (0.55) DRD2ADRA2AADRA2BADRA2CADRA1D
SCHEMBL566715 0.84 DRD2 (0.63) DRD2ADRA2AADRA2BADRA2CADRA1D
SCHEMBL567316 0.84 DRD2 (0.63) DRD2ADRA2AADRA2BADRA2CADRA1D
SCHEMBL567487 0.84 DRD2 (0.57) DRD2ADRA2AADRA2BADRA2CADRA1D
SCHEMBL567617 0.82 ADRA2A (0.61) DRD2ADRA2AADRA2BADRA2CADRA1D
SCHEMBL3039235 0.80 DRD2 (0.54) DRD2ADRA2AADRA2BADRA2CADRA1D
SCHEMBL567283 0.80 ADRA2A (0.58) DRD2ADRA2AADRA2BADRA2CADRA1D
SCHEMBL3044732 0.80 DRD2 (0.64) DRD2ADRA2AADRA2BADRA2CADRA1D
SCHEMBL3044736 0.80 DRD2 (0.64) DRD2ADRA2AADRA2BADRA2CADRA1D

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 4 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
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
WO-2023131640-A1 α2-ADRENOCEPTOR SUBTYPE C ANTAGONISTS FOR THE TREATMENT OF SLEEP APNEA BAYER AKTIENGESELLSCHAFT (DE) 2023-07-13 WO disclosed