SCHEMBL6582826

SCHEMBL6582826

O=C1CC2(CCCC2)CCN1CCCl

nearest known ligand 0.52

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 15/20 0.52
ADRA1B P35368 10/20 0.52
ADRA1A P35348 5/20 0.52
ADRA1D P25100 2/20 0.34
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
SCHEMBL6577592 0.82 HTR1A (0.49) HTR1AADRA1BADRA1AADRA1DDRD2
SCHEMBL6751068 0.76 HTR1A (0.49) HTR1AADRA1BADRA1AADRA1DDRD2
SCHEMBL16190005 0.71 HTR1A (0.38) HTR1AADRA1BADRA1A
SCHEMBL1728235 0.69 HTR1A (0.40) HTR1AADRA1BADRA1AADRA1DDRD2
SCHEMBL507643 0.69
SCHEMBL7410588 0.68 HTR1A (0.55) HTR1AADRA1BADRA1AADRA1DDRD2
SCHEMBL14359379 0.68 HTR1A (0.51) HTR1AADRA1BADRA1AADRA1DDRD2
SCHEMBL11407307 0.68
Hydrochloric Acid SCHEMBL5475006 0.67 PIK3CD (0.48) ADRA1BADRA1AADRA1D
SCHEMBL10976378 0.67 L3MBTL1 (0.50) ADRA1BADRA1AADRA1D

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