SCHEMBL23784263

SCHEMBL23784263

CCCN(COC)Cc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.50
BCHE P06276 5/20 0.49
TSHR P16473 3/20 0.47
MAPK1 P28482 1/20 0.47
HSD17B10 Q99714 1/20 0.47
RORC P51449 1/20 0.47
CNR2 P34972 1/20 0.44
ALDH1A1 P00352 1/20 0.42
CALM1 P0DP23 1/20 0.42
CAMKK2 Q96RR4 1/20 0.42
DRD2 P14416 1/20 0.41
OPRM1 P35372 1/20 0.41
DRD3 P35462 1/20 0.41
OPRD1 P41143 1/20 0.41
OPRK1 P41145 1/20 0.41
HTR1A P08908 1/20 0.41
HTR2C P28335 1/20 0.41
HTR2B P41595 1/20 0.41
KDM4E B2RXH2 1/20 0.41

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
SCHEMBL6644202 0.86 TSHR (0.50) BCHETSHRMAPK1CNR2ALDH1A1
SCHEMBL3029785 0.86 TSHR (0.50) BCHETSHRMAPK1CNR2ALDH1A1
SCHEMBL4747976 0.85 TSHR (0.59) HRH3BCHETSHRMAPK1CNR2
SCHEMBL8240347 0.84 HRH3 (0.61) HRH3BCHETSHRHSD17B10RORC
SCHEMBL330083 0.84 HRH3 (0.68) HRH3BCHETSHRHSD17B10RORC
Water SCHEMBL28117059 0.82 HRH3 (0.65) HRH3BCHETSHRHSD17B10RORC
Hydrochloric Acid SCHEMBL17710415 0.82 HRH3 (0.65) HRH3BCHETSHRHSD17B10RORC
Hydrochloric Acid SCHEMBL3183297 0.82 HRH3 (0.59) HRH3BCHETSHRHSD17B10RORC
SCHEMBL12620663 0.81 TSHR (0.41) BCHETSHRMAPK1CNR2ALDH1A1
SCHEMBL24719492 0.81 TSHR (0.41) BCHETSHRMAPK1CNR2ALDH1A1

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
CN-119233997-A Tetrahedral antibodies 生物分子控股有限责任公司 2024-12-31 CN claimed
CN-119233997-A Tetrahedral antibodies 生物分子控股有限责任公司 2024-12-31 CN disclosed
EP-3875450-A1 NRF2 ACTIVATOR Biogen MA Inc. (US) 2021-09-08 EP disclosed