SCHEMBL7722331

SCHEMBL7722331

CN1CCc2c(sc3ncn(CCCN4CCN(c5nccc6ccccc56)CC4)c(=O)c23)C1

nearest known ligand 0.91

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 20/20 0.91
ADRA1D P25100 20/20 0.91
HTR1B P28222 20/20 0.91
ADRA1A P35348 20/20 0.91
ADRA1B P35368 20/20 0.91
DRD2 P14416 2/20 0.68
HTR2A P28223 2/20 0.68
HTR7 P34969 2/20 0.68
DRD3 P35462 2/20 0.68
HTR2C P28335 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
SCHEMBL7718603 0.98 HTR1A (0.91) HTR1AADRA1DHTR1BADRA1AADRA1B
Hydrochloric Acid SCHEMBL7722201 0.94 HTR1A (0.98) HTR1AADRA1DHTR1BADRA1AADRA1B
SCHEMBL6993312 0.89 HTR1A (0.90) HTR1AADRA1DHTR1BADRA1AADRA1B
Hydrochloric Acid SCHEMBL7715221 0.88 HTR1A (0.89) HTR1AADRA1DHTR1BADRA1AADRA1B
SCHEMBL7718495 0.87 HTR1A (0.85) HTR1AADRA1DHTR1BADRA1AADRA1B
SCHEMBL7720188 0.87 HTR1A (0.90) HTR1AADRA1DHTR1BADRA1AADRA1B
SCHEMBL7722188 0.86 HTR1A (0.84) HTR1AADRA1DHTR1BADRA1AADRA1B
SCHEMBL7718433 0.85 HTR1A (0.81) HTR1AADRA1DHTR1BADRA1AADRA1B
SCHEMBL7719375 0.84 HTR1A (0.80) HTR1AADRA1DHTR1BADRA1AADRA1B
SCHEMBL7719525 0.84 HTR1A (0.80) HTR1AADRA1DHTR1BADRA1AADRA1B

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
US-6387912-B1 STROKE THERAPY BASF AKTIENGESELLSCHAFT (DE) 2002-05-14 US disclosed