SCHEMBL9539639

SCHEMBL9539639

COCCNCC1COC2(CCC(C(C)(C)C)CC2)O1

nearest known ligand 0.47

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ADRA1B P35368 17/20 0.47
ADRA1D P25100 16/20 0.47
HTR1A P08908 16/20 0.47
ADRA1A P35348 15/20 0.47

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
SCHEMBL20588784 0.85 ADRA1D (0.41) ADRA1BADRA1DHTR1AADRA1A
SCHEMBL9831774 0.79 PABPC1 (0.34) ADRA1BADRA1DHTR1AADRA1A
SCHEMBL9678068 0.76 PABPC1 (0.32) ADRA1BADRA1DHTR1AADRA1A
SCHEMBL8527748 0.76 PABPC1 (0.37)
SCHEMBL9539650 0.76 HTR1A (0.30) ADRA1BADRA1DHTR1AADRA1A
SCHEMBL9543293 0.74
SCHEMBL8800493 0.74 PABPC1 (0.36) ADRA1BADRA1DHTR1AADRA1A
SCHEMBL9203504 0.73 PABPC1 (0.36)
SCHEMBL30804394 0.73 PABPC1 (0.36) HTR1A
SCHEMBL8878463 0.73 PABPC1 (0.36)

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-1993002074-A1 ALKOXYAMINO KETALS, THEIR PREPARATION AND INTERMEDIATE PRODUCTS THEREFOR, AND THEIR USE AS FUNGICIDES CHEMINOVA AGRO A/S (DK) 1993-02-04 WO disclosed