SCHEMBL8142806

SCHEMBL8142806

COc1cccc2c1[C@H]1CN(CC#N)C[C@H]1CC2

nearest known ligand 0.50

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 15/20 0.50
ADRA1B P35368 1/20 0.45
DRD2 P14416 5/20 0.45

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
SCHEMBL8141614 1.00 HTR1A (0.50) HTR1AADRA1BDRD2
SCHEMBL7851054 0.84 ADRA1B (0.59) ADRA1B
SCHEMBL8143155 0.84 ADRA1B (0.59) ADRA1B
SCHEMBL8139000 0.84 ADRA1B (0.59) ADRA1B
SCHEMBL9458004 0.83 HTR1A (0.65) HTR1AADRA1BDRD2
SCHEMBL9457996 0.83 HTR1A (0.65) HTR1AADRA1BDRD2
SCHEMBL9812520 0.83 HTR1A (0.65) HTR1AADRA1BDRD2
SCHEMBL9457833 0.83 HTR1A (0.65) HTR1AADRA1BDRD2
SCHEMBL9457993 0.83 HTR1A (0.65) HTR1AADRA1BDRD2
SCHEMBL9458382 0.82 HTR1A (0.54) HTR1AADRA1BDRD2

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