SCHEMBL6611965

SCHEMBL6611965

CCC(=O)c1cccc(CC2CCN(CCOc3cccc4nc(C)ccc34)CC2)c1

nearest known ligand 0.78

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 20/20 0.78
HTR1D P28221 20/20 0.78
HTR1B P28222 20/20 0.78
ADRB2 P07550 1/20 0.68
DRD2 P14416 1/20 0.68
HTR2A P28223 1/20 0.68
HTR1E P28566 1/20 0.68
HTR1F P30939 1/20 0.68
SLC6A4 P31645 1/20 0.68
HTR7 P34969 1/20 0.68
ADRA1B P35368 1/20 0.68
HTR2B P41595 1/20 0.68
HTR5A P47898 1/20 0.68

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
SCHEMBL6398599 0.92 HTR1A (0.76) HTR1AHTR1DHTR1BADRB2DRD2
SCHEMBL6392131 0.91 HTR1A (0.80) HTR1AHTR1DHTR1BADRB2DRD2
SCHEMBL6394575 0.91 HTR1A (0.76) HTR1AHTR1DHTR1BADRB2DRD2
SCHEMBL6392500 0.91 HTR1A (0.73) HTR1AHTR1DHTR1BADRB2DRD2
SCHEMBL6393797 0.90 HTR1A (0.75) HTR1AHTR1DHTR1BADRB2DRD2
SCHEMBL6391232 0.89 HTR1A (0.74) HTR1AHTR1DHTR1BADRB2DRD2
SCHEMBL6391980 0.89 HTR1A (0.75) HTR1AHTR1DHTR1BADRB2DRD2
SCHEMBL6392425 0.88 HTR1A (0.72) HTR1AHTR1DHTR1BADRB2DRD2
SCHEMBL6391984 0.88 HTR1A (0.75) HTR1AHTR1DHTR1BADRB2DRD2
SCHEMBL5214315 0.88 HTR1A (1.00) HTR1AHTR1DHTR1BADRB2DRD2

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
EP-1476161-A1 PIPERIDINE AND PIPERAZINE DERIVATIVES POSSESSING AFFINITY AT 5HT-1 TYPE RECEPTORS GLAXO GROUP LIMITED (GB) 2004-11-17 EP disclosed
WO-2003068236-A1 PIPERIDINE AND PIPERAZINE DERIVATIVES POSSESSING AFFINITY AT 5HT-1 TYPE RECEPTORS GLAXO GROUP LIMITED (GB) 2003-08-21 WO disclosed