SCHEMBL10467289

SCHEMBL10467289

N#CN1CCc2cccc3c2C(CCC3)C1

nearest known ligand 0.61

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR3B O95264 1/20 0.44
ADRA2A P08913 1/20 0.44
KCNE1 P15382 1/20 0.44
ADRA2C P18825 1/20 0.44
CHRM3 P20309 1/20 0.44
SLC6A4 P31645 1/20 0.44
ADRA1A P35348 1/20 0.44
HRH1 P35367 1/20 0.44
DRD3 P35462 1/20 0.44
CHRNA4 P43681 1/20 0.44
HTR3A P46098 1/20 0.44
KCNQ1 P51787 1/20 0.44
KCNH2 Q12809 1/20 0.44
SCN5A Q14524 1/20 0.44

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
SCHEMBL10468579 0.91 USP30 (0.41)
SCHEMBL10467971 0.76
SCHEMBL10469645 0.76 PDE4B (0.46)
SCHEMBL829452 0.74 TSHR (0.43) HTR3BADRA2AKCNE1ADRA2CCHRM3
SCHEMBL10469673 0.71 ADRA2A (0.49) ADRA2AADRA2CDRD3
SCHEMBL718791 0.70 TSHR (0.40)
SCHEMBL30739530 0.70 TSHR (0.40)
SCHEMBL10467801 0.70 USP30 (0.32)
SCHEMBL829845 0.68 TSHR (0.48) HTR3BADRA2AKCNE1ADRA2CCHRM3
SCHEMBL10467991 0.68 PDE4B (0.46)

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-4957914-A ANTIDEPRESSANTS, ANXIOLYTICS, HYPOTENSIVE AGENTS SYNTEX (U.S.A.) INC. (US) 1990-09-18 US disclosed