SCHEMBL7105876

SCHEMBL7105876

COc1cc2c(cc1F)CCC[C@@H]2N

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
DRD5 P21918 4/20 0.46
ACHE P22303 2/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
KDM1A O60341 2/20 0.39
KDM4C Q9H3R0 2/20 0.38
CHRNA7 P36544 3/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
ADRA1A P35348 1/20 0.36

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
SCHEMBL8011020 1.00 DRD5 (0.46) DRD5ACHEMEN1KMT2AKDM1A
Hydrochloric Acid SCHEMBL8074492 0.98 DRD5 (0.48) DRD5ACHEMEN1KMT2AKDM1A
SCHEMBL1748257 0.87 CHRNA7 (0.48) ACHECHRNA7CA1CA2
SCHEMBL15109677 0.81 ACHE (0.40) ACHEKDM1A
SCHEMBL13131186 0.77 ACHE (0.45) ACHEMEN1KMT2AKDM4C
SCHEMBL28046681 0.76 CA1 (0.54) CHRNA7CA1CA2
SCHEMBL355553 0.76 CA1 (0.54) CHRNA7CA1CA2
Hydrochloric Acid SCHEMBL2816232 0.76 ACHE (0.44) ACHEMEN1KMT2AKDM4C
Hydrochloric Acid SCHEMBL15226690 0.76 ACHE (0.44) ACHEMEN1KMT2AKDM4C
Hydrochloric Acid SCHEMBL17910635 0.75 CA1 (0.53) CHRNA7CA1CA2

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-0968174-B1 OPTICALLY ACTIVE 2-AMINOTETRALINE, PROCESS FOR ITS PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME, ACTIVE IN PREVENTING AND TREATING SEPTIC SHOCK SIGMA TAU IND FARMACEUTI (IT) 2003-01-22 EP disclosed
US-6225501-B1 S(-)-2-AMINO-6-FLUORO-7-METHOXYTETRALINE SIGMA-TAU INDUSTRIE FARMACEUTICHE RIUNITE S.P.A. (IT) 2001-05-01 US disclosed
EP-0968174-A1 OPTICALLY ACTIVE 2-AMINOTETRALINE, PROCESS FOR ITS PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME, ACTIVE IN PREVENTING AND TREATING SEPTIC SHOCK Sigma-Tau Industrie Farmaceutiche Riunite S.p.A. (IT) 2000-01-05 EP disclosed
WO-1998033762-A9 OPTICALLY ACTIVE 2-AMINOTETRALINE, PROCESS FOR ITS PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME, ACTIVE IN PREVENTING AND TREATING SEPTIC SHOCK 1998-12-30 WO disclosed
WO-1998033762-A1 OPTICALLY ACTIVE 2-AMINOTETRALINE, PROCESS FOR ITS PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME, ACTIVE IN PREVENTING AND TREATING SEPTIC SHOCK SIGMA-TAU INDUSTRIE FARMACEUTICHE RIUNITE S.P.A. (IT) 1998-08-06 WO disclosed