SCHEMBL6582397

SCHEMBL6582397

O=C1CCN(c2cccc3c2OCCC3)CC1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 6/20 0.49
DRD2 P14416 3/20 0.47
HTR2A P28223 3/20 0.47
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
CYP3A4 P08684 1/20 0.41
ALOX12 P18054 1/20 0.41
MAPK1 P28482 1/20 0.41
PMP22 Q01453 1/20 0.41
ADRB1 P08588 1/20 0.40
ADRA1D P25100 1/20 0.39
ADRA1A P35348 1/20 0.39
ADRA1B P35368 1/20 0.39

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
SCHEMBL13533075 0.83 HTR1A (0.53) HTR1ADRD2HTR2AALDH1A1LMNA
SCHEMBL3615477 0.82 ADRB1 (0.61) HTR1ADRD2HTR2AADRB1
SCHEMBL6583688 0.81 HTR1A (0.49) HTR1ADRD2HTR2AALDH1A1LMNA
Hydrochloric Acid SCHEMBL5362928 0.81 ADRB1 (0.60) HTR1ADRD2HTR2AALDH1A1LMNA
Hydrochloric Acid SCHEMBL5218353 0.81 ADRB1 (0.60) HTR1ADRD2HTR2AALDH1A1LMNA
SCHEMBL7482608 0.79 HTR1A (0.56) HTR1ADRD2HTR2AALDH1A1LMNA
SCHEMBL6585026 0.79 HTR1A (0.50) HTR1ADRD2HTR2AALDH1A1LMNA
SCHEMBL3605703 0.78 ADRB1 (0.57) HTR1ADRD2HTR2AADRB1
SCHEMBL7473402 0.78 ADRB1 (0.65) HTR1AALDH1A1LMNACYP3A4ALOX12
SCHEMBL4948654 0.78 ADRB1 (0.60) HTR1ADRD2HTR2AADRB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0861837-B1 2-Aminoindane derivatives, process for their preparation and pharmaceutical compositions containing them SERVIER LAB (FR) 2004-04-28 EP disclosed
CN-1090627-C New 2-amino-1,2-indene compounds, process for their preparation and pharmaceutical compositions containing them SEUER LAB (FR) 2002-09-11 CN disclosed
EP-0982305-B1 Indane-1-ol derivatives, process for their preparation and pharmaceutical compositions containing them SERVIER LAB (FR) 2002-03-06 EP disclosed
US-6153625-A Indan-1-ol compounds ADIR ET COMPAGNIE (FR) 2000-11-28 US disclosed
EP-0982305-A1 Indane-1-ol derivatives, process for their preparation and pharmaceutical compositions containing them ADIR ET COMPAGNIE (FR) 2000-03-01 EP disclosed
US-5968954-A EXHIBIT SELECTIVE BINDING AFFINITY FOR 5-HYDROXYTRYPTAMINE RECEPTORS ADIR ET COMPAGNIE (FR) 1999-10-19 US disclosed
CN-1194983-A New 2-amino-1,2-indene compounds, process for their preparation and pharmaceutical compositions containing them ADIR (FR) 1998-10-07 CN disclosed
EP-0861837-A1 2-Aminoindane derivatives, process for their preparation and pharmaceutical compositions containing them ADIR ET COMPAGNIE (FR) 1998-09-02 EP disclosed