SCHEMBL6585033

SCHEMBL6585033

Fc1cc2c(c(N3CCC(NC4Cc5ccccc5C4)CC3)c1)OCCC2

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 10/20 0.47
SLC6A4 P31645 2/20 0.37
ADRA1D P25100 1/20 0.36
ADRA1A P35348 1/20 0.36
ADRA1B P35368 1/20 0.36
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
CYP3A4 P08684 1/20 0.35
ALOX12 P18054 1/20 0.35
MAPK1 P28482 1/20 0.35
PMP22 Q01453 1/20 0.35
DRD2 P14416 1/20 0.35
HTR2A P28223 1/20 0.35
HTR6 P50406 1/20 0.34

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
SCHEMBL6582162 0.87 HTR1A (0.57) HTR1AADRA1DADRA1AADRA1BALDH1A1
SCHEMBL6585910 0.86 HTR1A (0.47) HTR1AADRA1DADRA1AADRA1BALDH1A1
SCHEMBL6582770 0.80 HTR1A (0.49) HTR1ASLC6A4ADRA1DADRA1AADRA1B
SCHEMBL6637059 0.78 HTR1A (0.43) HTR1ASLC6A4HTR6
SCHEMBL6584899 0.78 HTR1A (0.46) HTR1AADRA1DADRA1AADRA1BALDH1A1
SCHEMBL6583915 0.78 HTR1A (0.45) HTR1AADRA1DADRA1AADRA1BALDH1A1
SCHEMBL7481799 0.77 HTR1A (0.68) HTR1AADRA1DADRA1AADRA1B
SCHEMBL7481792 0.77 HTR1A (0.68) HTR1AADRA1DADRA1AADRA1B
SCHEMBL7481862 0.77 HTR1A (0.68) HTR1AADRA1DADRA1AADRA1B
SCHEMBL7481855 0.77 HTR1A (0.68) HTR1AADRA1DADRA1AADRA1B

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 6 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 claimed
EP-0861837-A1 2-Aminoindane derivatives, process for their preparation and pharmaceutical compositions containing them ADIR ET COMPAGNIE (FR) 1998-09-02 EP claimed
WO-2020183011-A1 HTR1D INHIBITORS AND USES THEREOF IN THE TREATMENT OF CANCER INSTITUT CURIE (FR) 2020-09-17 WO disclosed
EP-0861837-B1 2-Aminoindane derivatives, process for their preparation and pharmaceutical compositions containing them SERVIER LAB (FR) 2004-04-28 EP disclosed
US-5968954-A EXHIBIT SELECTIVE BINDING AFFINITY FOR 5-HYDROXYTRYPTAMINE RECEPTORS ADIR ET COMPAGNIE (FR) 1999-10-19 US 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