SCHEMBL7715064

SCHEMBL7715064

CN1CCc2c(sc3ncn(CCCCN4CCN(c5cccc(C(F)(F)F)c5)CC4)c(=O)c23)C1

nearest known ligand 0.66

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 19/20 0.66
ADRA1D P25100 19/20 0.66
HTR1B P28222 19/20 0.66
ADRA1A P35348 19/20 0.66
ADRA1B P35368 19/20 0.66
DRD2 P14416 2/20 0.58
DRD3 P35462 2/20 0.58
DRD5 P21918 1/20 0.58
HTR2A P28223 1/20 0.56
HTR2C P28335 1/20 0.56
HTR7 P34969 1/20 0.56

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
Hydrochloric Acid SCHEMBL7719566 0.99 HTR1A (0.65) HTR1AADRA1DHTR1BADRA1AADRA1B
SCHEMBL7715000 0.98 HTR1A (0.66) HTR1AADRA1DHTR1BADRA1AADRA1B
SCHEMBL3458036 0.95 HTR1A (0.73) HTR1AADRA1DHTR1BADRA1AADRA1B
Hydrochloric Acid SCHEMBL6834969 0.94 HTR1A (0.72) HTR1AADRA1DHTR1BADRA1AADRA1B
Hydrochloric Acid SCHEMBL7722154 0.92 HTR1A (0.68) HTR1AADRA1DHTR1BADRA1AADRA1B
SCHEMBL7676522 0.89 HTR1A (0.63) HTR1AADRA1DHTR1BADRA1AADRA1B
SCHEMBL7720143 0.87 HTR1A (0.62) HTR1AADRA1DHTR1BADRA1AADRA1B
SCHEMBL7718516 0.87 HTR1A (0.65) HTR1AADRA1DHTR1BADRA1AADRA1B
SCHEMBL7715127 0.87 HTR1A (0.68) HTR1AADRA1DHTR1BADRA1AADRA1B
Hydrochloric Acid SCHEMBL7722203 0.86 HTR1A (0.60) 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