SCHEMBL8136289

SCHEMBL8136289

NCCN1CC2CCc3c(ccc4c3OCO4)C2C1

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 4/20 0.42
ADRA2B P18089 4/20 0.42
ADRA2C P18825 4/20 0.42
ADRA1B P35368 12/20 0.37
DRD2 P14416 3/20 0.35
HTR2A P28223 2/20 0.33
DRD3 P35462 2/20 0.33
ADRA1A P35348 2/20 0.33

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
SCHEMBL7849718 0.75 ADRA1B (0.45) ADRA1BADRA1A
SCHEMBL7852402 0.72 ADRA1B (0.66) ADRA1BADRA1A
SCHEMBL8127872 0.72 ADRA1B (0.66) ADRA1BADRA1A
SCHEMBL8138172 0.71 CHRNB2 (0.37) ADRA2AADRA2BADRA2CDRD2HTR2A
Hydrochloric Acid SCHEMBL8139207 0.71 ADRA1B (0.65) ADRA1BADRA1A
Hydrochloric Acid SCHEMBL8139060 0.71 ADRA1B (0.65) ADRA1BADRA1A
SCHEMBL8142221 0.70 ADRA1B (0.53) ADRA1BADRA1A
SCHEMBL9263586 0.69 DRD2 (0.41) ADRA2AADRA2BADRA2CDRD2
SCHEMBL9261796 0.69 DRD2 (0.41) ADRA2AADRA2BADRA2CDRD2
SCHEMBL9261794 0.69 DRD2 (0.41) ADRA2AADRA2BADRA2CDRD2

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
EP-0808318-B1 TRICYCLIC SUBSTITUTED HEXAHYDROBENZ[E]ISOINDOLE ALPHA-1 ADRENERGIC ANTAGONISTS ABBOTT LAB (US) 2000-06-28 EP disclosed
US-5597823-A TREATING BENIGN PROSTATIC HYPERPLASIA ABBOTT LABORATORIES (US) 1997-01-28 US disclosed
WO-1996022992-A1 TRICYCLIC SUBSTITUTED HEXAHYDROBENZ[E]ISOINDOLE ALPHA-1 ADRENERGIC ANTAGONISTS ABBOTT LABORATORIES (US) 1996-08-01 WO disclosed