SCHEMBL6577592

SCHEMBL6577592

O=C1CC2(CCCC2)CCN1CCO

nearest known ligand 0.49

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 10/20 0.49
ADRA1B P35368 6/20 0.49
ADRA1A P35348 4/20 0.49
ADRA1D P25100 2/20 0.35
DRD2 P14416 1/20 0.34

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
SCHEMBL6582826 0.82 HTR1A (0.52) HTR1AADRA1BADRA1AADRA1DDRD2
SCHEMBL18820460 0.76 CHRM2 (0.38) HTR1AADRA1B
SCHEMBL9386416 0.76 HTR1A (0.48) HTR1AADRA1BADRA1AADRA1DDRD2
SCHEMBL11608413 0.74 HTR1A (0.47) HTR1AADRA1BADRA1AADRA1DDRD2
SCHEMBL18806137 0.71 CYP11B1 (0.33)
SCHEMBL16190005 0.71 HTR1A (0.38) HTR1AADRA1BADRA1A
SCHEMBL1728235 0.69 HTR1A (0.40) HTR1AADRA1BADRA1AADRA1DDRD2
SCHEMBL7356006 0.69 HTR1A (0.50) HTR1AADRA1BADRA1AADRA1DDRD2
SCHEMBL39045 0.69
SCHEMBL31533639 0.68 HTR1A (0.43) HTR1AADRA1BADRA1AADRA1DDRD2

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
EP-1200406-B1 CYCLIC AMIDES AND IMIDES HAVING SELECTIVE ANTAGONIST ACTIVITY AT ALPHA-1D ADRENERGIC RECEPTOR RECORDATI CHEM PHARM (IT) 2004-11-24 EP disclosed