SCHEMBL9685737

SCHEMBL9685737

CCCc1ccc2c(c1)sc(=O)n2C

nearest known ligand 0.64

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 8/20 0.64
ADRA2A P08913 1/20 0.64
ADRA2B P18089 1/20 0.64
ADRA2C P18825 1/20 0.64
HRH1 P35367 1/20 0.64
HTR1A P08908 2/20 0.57
HTR2C P28335 1/20 0.57

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
SCHEMBL9685601 0.91 SIGMAR1 (0.60) SIGMAR1ADRA2AADRA2BADRA2CHRH1
SCHEMBL9484568 0.89 SIGMAR1 (0.62) SIGMAR1ADRA2AADRA2BADRA2CHRH1
SCHEMBL9684012 0.87 MAPT (0.61) SIGMAR1ADRA2AADRA2BADRA2CHRH1
SCHEMBL8114236 0.86 SIGMAR1 (0.59) SIGMAR1ADRA2AADRA2BADRA2CHRH1
SCHEMBL7761420 0.86 SIGMAR1 (0.59) SIGMAR1ADRA2AADRA2BADRA2CHRH1
SCHEMBL9437721 0.86 SIGMAR1 (0.53) SIGMAR1ADRA2AADRA2BADRA2CHRH1
Hydrochloric Acid SCHEMBL9437885 0.84 SIGMAR1 (0.52) SIGMAR1ADRA2AADRA2BADRA2CHRH1
Hydrochloric Acid SCHEMBL8871795 0.84 SIGMAR1 (0.57) SIGMAR1ADRA2AADRA2BADRA2CHRH1
SCHEMBL8948178 0.83 SIGMAR1 (0.57) SIGMAR1ADRA2AADRA2BADRA2CHRH1
SCHEMBL7760487 0.83 SIGMAR1 (0.61) SIGMAR1HTR1AHTR2C

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-5084469-A Analgesics ADIR ET COMPAGNIE (FR) 1992-01-28 US disclosed