SCHEMBL9401583

SCHEMBL9401583

CC1=Cc2sc(C(c3ccccc3)c3ncc[nH]3)cc2CC1

nearest known ligand 0.44

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 2/20 0.34
ADRA2B P18089 2/20 0.34
ADRA2C P18825 2/20 0.34

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
SCHEMBL9401576 0.87 ADRA2A (0.32) ADRA2AADRA2BADRA2C
SCHEMBL1348889 0.70 SLC6A2 (0.50) ADRA2AADRA2BADRA2C
SCHEMBL9401646 0.69 TBXAS1 (0.53)
SCHEMBL7579076 0.64 NISCH (0.52) ADRA2AADRA2BADRA2C
SCHEMBL8609233 0.63 CYP17A1 (0.44) ADRA2AADRA2BADRA2C
SCHEMBL698729 0.61 ADRA2A (0.60) ADRA2AADRA2BADRA2C
SCHEMBL28000044 0.61 ADRA2A (0.60) ADRA2AADRA2BADRA2C
SCHEMBL3170537 0.61 NISCH (0.53) ADRA2AADRA2BADRA2C
SCHEMBL953558 0.60 ADRA2A (0.48) ADRA2AADRA2BADRA2C
SCHEMBL9371805 0.60 ADRA2A (0.45) ADRA2AADRA2BADRA2C

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-5286869-A Vasodilators and anticoagulants FUJIREBIO KABUSHIKI KAISHA (JP) 1994-02-15 US disclosed