SCHEMBL9670486

SCHEMBL9670486

CCCN(CCC)C1CCc2ccc3c(ccn3CN(C)C)c2C1

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTR1D P28221 7/20 0.54
HTR1A P08908 7/20 0.54
HTR1B P28222 6/20 0.54
DRD3 P35462 4/20 0.54
DRD2 P14416 4/20 0.49
HTR7 P34969 3/20 0.49
CYP1A2 P05177 1/20 0.49
CYP2D6 P10635 1/20 0.49
TSHR P16473 1/20 0.49
HTR2A P28223 1/20 0.49
HTR2C P28335 1/20 0.49
ADRA1A P35348 1/20 0.49
ADRA1B P35368 1/20 0.49
HTR2B P41595 1/20 0.49
HTR5A P47898 1/20 0.49

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
SCHEMBL8314594 0.84 HTR1D (0.53) HTR1DHTR1AHTR1BDRD3DRD2
SCHEMBL10972396 0.83 HTR1D (0.65) HTR1DHTR1AHTR1BDRD3DRD2
SCHEMBL9670304 0.80 DRD3 (0.62) HTR1DHTR1AHTR1BDRD3DRD2
SCHEMBL9670081 0.77 HTR1D (0.52) HTR1DHTR1AHTR1BDRD3DRD2
SCHEMBL9669337 0.72 HTR1D (0.60) HTR1DHTR1AHTR1BDRD3DRD2
SCHEMBL8315482 0.70 HTR1D (1.00) HTR1DHTR1B
SCHEMBL10978045 0.69 HTR6 (0.60) HTR1DHTR1AHTR1BDRD3DRD2
SCHEMBL8886975 0.69 ADRA1A (0.36) HTR1DHTR1BDRD3DRD2ADRA1A
SCHEMBL11042681 0.68 DRD2 (0.62) HTR1DHTR1AHTR1BDRD3DRD2
SCHEMBL6542199 0.67 HTR1A (0.72) HTR1DHTR1AHTR1BDRD3DRD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0510068-A1 NEW CENTRALLY ACTING 6,7,8,9-TETRAHYDRO-3H-BENZ(e)INDOLE HETEROCYCLICS PHARMACIA & UPJOHN COMPANY (US) 1992-10-28 EP disclosed