SCHEMBL8052265

SCHEMBL8052265

c1cc2[nH]cc(CCCN3C[C@H]4CNC[C@H]4C3)c2cc1-n1cnnc1

nearest known ligand 0.72

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
HTR1D P28221 20/20 0.72
HTR1B P28222 20/20 0.72

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
SCHEMBL8052268 1.00 HTR1D (0.72) HTR1DHTR1B
SCHEMBL7479104 0.85 HTR1D (0.80) HTR1DHTR1B
SCHEMBL7479099 0.85 HTR1D (0.80) HTR1DHTR1B
SCHEMBL8814329 0.85 HTR1D (0.80) HTR1DHTR1B
SCHEMBL8151636 0.84 HTR1D (1.00) HTR1DHTR1B
SCHEMBL8662011 0.82 HTR1D (0.82) HTR1DHTR1B
SCHEMBL8984359 0.81 HTR1D (1.00) HTR1DHTR1B
SCHEMBL7477446 0.81 HTR1D (0.82) HTR1DHTR1B
SCHEMBL7482407 0.81 HTR1D (0.62) HTR1DHTR1B
SCHEMBL7482411 0.81 HTR1D (0.62) HTR1DHTR1B

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-6107321-A Diazabicyclooctane derivatives having selective 5-HT1Dalpha agonist activity MERCK SHARP & DOHME LTD. (GB) 2000-08-22 US disclosed