SCHEMBL22952997

SCHEMBL22952997

Oc1ccc2c(c1O)OC(C1CCOCC1)C1CCNCC21

nearest known ligand 0.45

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 1/20 0.45
DRD2 P14416 1/20 0.45
ADRA2B P18089 1/20 0.45
ADRA2C P18825 1/20 0.45
DRD1 P21728 1/20 0.45
DRD5 P21918 1/20 0.45
DRD3 P35462 1/20 0.45

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
SCHEMBL22953006 0.81 HTR2C (0.36) ADRA2ADRD2ADRA2BADRA2CDRD1
SCHEMBL22952931 0.77 DRD1 (0.60) ADRA2ADRD2ADRA2BADRA2CDRD1
SCHEMBL22953000 0.75 ADRA2A (0.49) ADRA2ADRD2ADRA2BADRA2CDRD1
SCHEMBL22952998 0.72 ADRA2A (0.46) ADRA2ADRD2ADRA2BADRA2CDRD1
SCHEMBL22953347 0.70 ADRA2A (0.44) ADRA2ADRD2ADRA2BADRA2CDRD1
SCHEMBL22953348 0.70 ADRA2A (0.44) ADRA2ADRD2ADRA2BADRA2CDRD1
SCHEMBL22953349 0.70 ADRA2A (0.44) ADRA2ADRD2ADRA2BADRA2CDRD1
SCHEMBL22953352 0.70 ADRA2A (0.44) ADRA2ADRD2ADRA2BADRA2CDRD1
SCHEMBL22952995 0.69 DRD1 (0.43) ADRA2ADRD2ADRA2BADRA2CDRD1
SCHEMBL22953351 0.69 ADRA2A (0.42) ADRA2ADRD2ADRA2BADRA2CDRD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021021922-A1 COMPOUNDS AND METHODS FOR TREATING FIBROTIC PATHOLOGIES MAYO FOUNDATION FOR MEDICAL EDUCATION AND RESEARCH (US) 2021-02-04 WO disclosed