SCHEMBL30495502

SCHEMBL30495502

COc1cc2c(cc1OC)CN(CC1COc3ccccc3O1)CC2

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 2/20 0.60
ADRA2B P18089 2/20 0.60
ADRA2C P18825 2/20 0.60
ADRA1D P25100 2/20 0.53
ADRA1A P35348 2/20 0.53
ADRA1B P35368 2/20 0.53
SCN1A P35498 1/20 0.53
SCN2A Q99250 1/20 0.53
SCN3A Q9NY46 1/20 0.53
ABCB1 P08183 1/20 0.52
ABCG2 Q9UNQ0 1/20 0.52
DRD2 P14416 1/20 0.50
ALDH1A1 P00352 2/20 0.49
KDM4E B2RXH2 1/20 0.49
ALOX15 P16050 1/20 0.49
TSHR P16473 1/20 0.49
CASP1 P29466 1/20 0.49
CASP7 P55210 1/20 0.49
HSD17B10 Q99714 1/20 0.49
HTR1A P08908 1/20 0.49

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
SCHEMBL568333 1.00 ADRA2A (0.60) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL30495415 0.83 ADRA2A (0.63) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL567783 0.83 ADRA2A (0.63) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL567515 0.79 SMN1; SMN2 (0.60) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL30495453 0.79 SMN1; SMN2 (0.60) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL2550479 0.75 ADRA2A (1.00) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL11854599 0.74 ADRA2A (0.84) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL566830 0.74 DRD2 (0.48) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL20438315 0.73 ADRA2A (0.73) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL20438314 0.73 ADRA2A (0.73) ADRA2AADRA2BADRA2CADRA1DADRA1A

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
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
CN-118785902-A Alpha 2-adrenoceptor subtype C antagonists for the treatment of sleep apnea 拜耳公司 2024-10-15 CN disclosed