SCHEMBL8485673

SCHEMBL8485673

CN(C1CCNCC1)C1Cc2ccccc2C1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DRD3 P35462 2/20 0.42
HTR1A P08908 1/20 0.40
SLC6A2 P23975 6/20 0.40
SLC6A4 P31645 6/20 0.40
HTR2C P28335 5/20 0.39
HTR2A P28223 1/20 0.39
SIGMAR1 Q99720 2/20 0.38
SLC18A3 Q16572 1/20 0.38
DRD2 P14416 1/20 0.37
DRD4 P21917 1/20 0.37
SLC6A3 Q01959 3/20 0.37

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
SCHEMBL7092682 0.84 DRD3 (0.54) DRD3HTR1ASLC6A2SLC6A4HTR2C
SCHEMBL23173231 0.77 SLC6A2 (0.32) SLC6A2SLC6A4HTR2CSLC6A3
SCHEMBL9054763 0.76 HTR2C (0.42) HTR1AHTR2CHTR2ASIGMAR1
SCHEMBL1009314 0.75 SLC6A2 (0.32) SLC6A2SLC6A4SLC6A3
Bromide SCHEMBL29349994 0.74 HTR1A (0.56) DRD3HTR1ADRD2DRD4
SCHEMBL7597067 0.73 ALDH1A1 (0.49) HTR1AHTR2CHTR2A
SCHEMBL7597072 0.73 ALDH1A1 (0.49) HTR1AHTR2CHTR2A
SCHEMBL14968773 0.73 SLC6A4 (0.33) SLC6A2SLC6A4SLC6A3
Hydrochloric Acid SCHEMBL4796823 0.73 HTR2C (0.31) SLC6A2SLC6A4HTR2C
SCHEMBL2248107 0.71 DRD3 (0.54) DRD3HTR1AHTR2CHTR2ASIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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