SCHEMBL7479099

SCHEMBL7479099

c1ccc(CN2C[C@H]3CN(CCCc4c[nH]c5ccc(-n6cnnc6)cc45)C[C@H]3C2)cc1

nearest known ligand 0.80

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
HTR1D P28221 20/20 0.80
HTR1B P28222 19/20 0.80

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
SCHEMBL7479104 1.00 HTR1D (0.80) HTR1DHTR1B
SCHEMBL8814329 1.00 HTR1D (0.80) HTR1DHTR1B
SCHEMBL7477446 0.90 HTR1D (0.82) HTR1DHTR1B
SCHEMBL7477451 0.90 HTR1D (0.82) HTR1DHTR1B
SCHEMBL7474143 0.89 HTR1D (1.00) HTR1DHTR1B
SCHEMBL7479541 0.86 HTR1D (0.94) HTR1DHTR1B
SCHEMBL8052265 0.85 HTR1D (0.72) HTR1DHTR1B
SCHEMBL8052268 0.85 HTR1D (0.72) HTR1DHTR1B
SCHEMBL7482411 0.84 HTR1D (0.62) HTR1DHTR1B
SCHEMBL7482407 0.84 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0925302-B1 PALLADIUM CATALYZED INDOLIZATION MERCK & CO INC (US) 2002-11-20 EP claimed
EP-0925302-B1 PALLADIUM CATALYZED INDOLIZATION MERCK & CO INC (US) 2002-11-20 EP disclosed
US-6107321-A Diazabicyclooctane derivatives having selective 5-HT1Dalpha agonist activity MERCK SHARP & DOHME LTD. (GB) 2000-08-22 US disclosed