SCHEMBL7719652

SCHEMBL7719652

CN1CCc2c(sc3ncn(CCCCCN4CCN(c5ccc(Cl)c(C(F)(F)F)c5)CC4)c(=O)c23)C1

nearest known ligand 0.61

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 20/20 0.61
ADRA1D P25100 18/20 0.61
HTR1B P28222 18/20 0.61
ADRA1A P35348 18/20 0.61
ADRA1B P35368 18/20 0.61
HTR7 P34969 3/20 0.52
DRD2 P14416 1/20 0.52
HTR2A P28223 1/20 0.52
HTR2C P28335 1/20 0.52
DRD3 P35462 1/20 0.52

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
SCHEMBL6999371 0.95 HTR1A (0.69) HTR1AADRA1DHTR1BADRA1AADRA1B
Hydrochloric Acid SCHEMBL7722329 0.94 HTR1A (0.68) HTR1AADRA1DHTR1BADRA1AADRA1B
SCHEMBL7720186 0.85 HTR1A (0.68) HTR1AADRA1DHTR1BADRA1AADRA1B
SCHEMBL7715064 0.85 HTR1A (0.66) HTR1AADRA1DHTR1BADRA1AADRA1B
Hydrochloric Acid SCHEMBL7719517 0.85 HTR1A (0.56) HTR1AADRA1DHTR1BADRA1AADRA1B
Hydrochloric Acid SCHEMBL7719566 0.85 HTR1A (0.65) HTR1AADRA1DHTR1BADRA1AADRA1B
SCHEMBL7715000 0.84 HTR1A (0.66) HTR1AADRA1DHTR1BADRA1AADRA1B
SCHEMBL7715127 0.83 HTR1A (0.68) HTR1AADRA1DHTR1BADRA1AADRA1B
SCHEMBL3458036 0.80 HTR1A (0.73) HTR1AADRA1DHTR1BADRA1AADRA1B
SCHEMBL7718516 0.80 HTR1A (0.65) 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