SCHEMBL9587377

SCHEMBL9587377

CN(C)CC1CCC(=O)[N]1

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MITF O75030 1/20 0.33
HSP90AA1 P07900 1/20 0.33
METAP1 P53582 2/20 0.33
CCR6 P51684 1/20 0.32
ADRA2A P08913 1/20 0.32
ADRA2B P18089 1/20 0.32
ADRA2C P18825 1/20 0.32
ADRA1D P25100 1/20 0.32
ADRA1A P35348 1/20 0.32
ADRA1B P35368 1/20 0.32

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
SCHEMBL1937125 0.71
SCHEMBL1935261 0.71
SCHEMBL9588477 0.71
SCHEMBL3269752 0.71 NOS3 (0.36)
SCHEMBL3267414 0.71
SCHEMBL9598895 0.68 CCR6 (0.30) CCR6
SCHEMBL3269532 0.68 HCAR2 (0.31)
SCHEMBL3266055 0.67
SCHEMBL3266018 0.66 SMN1; SMN2 (0.32)
SCHEMBL3059692 0.64 CHRM5 (0.38) METAP1ADRA2C

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
US-5272170-A Tetralones with pharmacological activity J. URIACH & CIA., S.A. (ES) 1993-12-21 US disclosed
US-5208246-A Hypotensive, bronchodilator J. URIACH & CIA. (ES) 1993-05-04 US disclosed
EP-0489300-A2 Tetralones with pharmacological activity J. URIACH & CIA. S.A. (ES) 1992-06-10 EP disclosed