SCHEMBL7473729

SCHEMBL7473729

O=C1OCCN1CC(c1ccccc1)N1CCN(CCCc2c[nH]c3ccc(-n4cnnc4)cc23)CC1

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
SCHEMBL7472550 0.93 HTR1D (0.62) HTR1DHTR1B
SCHEMBL7484414 0.86 HTR1D (0.81) HTR1DHTR1B
SCHEMBL7472454 0.84 HTR1D (0.71) HTR1DHTR1B
SCHEMBL7483602 0.82 HTR1D (0.87) HTR1DHTR1B
SCHEMBL7472299 0.82 HTR1D (0.75) HTR1DHTR1B
SCHEMBL7478699 0.82 HTR1D (1.00) HTR1DHTR1B
SCHEMBL7477123 0.82 HTR1D (0.80) HTR1DHTR1B
SCHEMBL8475010 0.81 HTR1D (0.49) HTR1DHTR1B
SCHEMBL8915888 0.80 HTR1D (1.00) HTR1DHTR1B
SCHEMBL8660701 0.80 HTR1D (0.78) 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 2 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