SCHEMBL7850563

SCHEMBL7850563

COc1cccc2c1[C@@H]1CNC([C@@H](C)c3ccccc3)[C@@H]1CC2

nearest known ligand 0.55

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 17/20 0.55
DRD2 P14416 6/20 0.42

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
SCHEMBL8137442 1.00 HTR1A (0.55) HTR1ADRD2
Hydrochloric Acid SCHEMBL7852201 0.83 HSD11B1 (0.47) HTR1ADRD2
Hydrochloric Acid SCHEMBL8137953 0.83 HSD11B1 (0.47) HTR1ADRD2
SCHEMBL9458475 0.71 HTR1A (0.62) HTR1ADRD2
SCHEMBL9458466 0.71 HTR1A (0.62) HTR1ADRD2
SCHEMBL8808944 0.71 HTR1A (1.00) HTR1ADRD2
SCHEMBL9458462 0.71 HTR1A (0.62) HTR1ADRD2
Hydrochloric Acid SCHEMBL9458335 0.70 HTR1A (0.61) HTR1ADRD2
Hydrochloric Acid SCHEMBL9458338 0.70 HTR1A (0.61) HTR1ADRD2
SCHEMBL8139159 0.67 HTR1A (0.49) HTR1ADRD2

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0805812-B1 BICYCLIC SUBSTITUTED HEXAHYDROBENZ(E)ISOINDOLE ALPHA-1- ADRENERGIC ANTAGONISTS ABBOTT LAB (US) 2001-06-13 EP disclosed
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
WO-1996022991-A1 BICYCLIC SUBSTITUTED HEXAHYDROBENZ[E]ISOINDOLE ALPHA-1- ADRENERGIC ANTAGONISTS ABBOTT LABORATORIES (US) 1996-08-01 WO disclosed