SCHEMBL7481530

SCHEMBL7481530

CN(C1CCN(CCCc2c[nH]c3ccc(-n4cnnc4)cc23)CC1)C(CO)c1ccccc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
HTR1D P28221 20/20 1.00
HTR1B P28222 20/20 1.00

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
SCHEMBL4579734 1.00 HTR1D (1.00) HTR1DHTR1B
SCHEMBL4579381 1.00 HTR1D (1.00) HTR1DHTR1B
SCHEMBL4578853 0.91 HTR1D (0.84) HTR1DHTR1B
SCHEMBL4354770 0.90 HTR1D (1.00) HTR1DHTR1B
SCHEMBL7914934 0.86 HTR1D (0.76) HTR1DHTR1B
SCHEMBL7914931 0.86 HTR1D (0.76) HTR1DHTR1B
SCHEMBL7917969 0.86 HTR1D (0.76) HTR1DHTR1B
SCHEMBL7914927 0.86 HTR1D (0.76) HTR1DHTR1B
SCHEMBL7917827 0.86 HTR1D (0.76) HTR1DHTR1B
SCHEMBL7917832 0.86 HTR1D (0.76) 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