SCHEMBL7718494

SCHEMBL7718494

O=C(NCCN1CCc2c(sc3ncn(CCN4CCN(c5cccc(C(F)(F)F)c5)CC4)c(=O)c23)C1)c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ADRA1A P35348 17/20 0.54
HTR1A P08908 16/20 0.54
ADRA1D P25100 16/20 0.54
HTR1B P28222 16/20 0.54
ADRA1B P35368 16/20 0.54
DRD3 P35462 3/20 0.46
DRD2 P14416 2/20 0.46
HTR2A P28223 1/20 0.46
HTR2C P28335 1/20 0.46
HTR7 P34969 1/20 0.46

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
SCHEMBL7718472 0.95 HTR1A (0.53) ADRA1AHTR1AADRA1DHTR1BADRA1B
SCHEMBL7718469 0.93 HTR1A (0.50) ADRA1AHTR1AADRA1DHTR1BADRA1B
SCHEMBL7719062 0.92 ADRA1A (0.51) ADRA1AHTR1AADRA1DHTR1BADRA1B
SCHEMBL7715222 0.88 HTR1A (0.53) ADRA1AHTR1AADRA1DHTR1BADRA1B
SCHEMBL7720257 0.87 HTR1A (0.56) ADRA1AHTR1AADRA1DHTR1BADRA1B
SCHEMBL7719592 0.87 HTR1A (0.57) ADRA1AHTR1AADRA1DHTR1BADRA1B
SCHEMBL7722319 0.86 HTR1A (0.58) ADRA1AHTR1AADRA1DHTR1BADRA1B
SCHEMBL7715216 0.85 HTR1A (0.56) ADRA1AHTR1AADRA1DHTR1BADRA1B
Hydrochloric Acid SCHEMBL7722203 0.85 HTR1A (0.60) ADRA1AHTR1AADRA1DHTR1BADRA1B
SCHEMBL7720143 0.85 HTR1A (0.62) ADRA1AHTR1AADRA1DHTR1BADRA1B

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