SCHEMBL7478710

SCHEMBL7478710

CC(=O)Nc1ccc(C(C)NCC2CCN(CCCc3c[nH]c4ccc(-n5cnnc5)cc34)CC2)cc1

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
SCHEMBL4338009 1.00 HTR1D (1.00) HTR1DHTR1B
SCHEMBL4579502 1.00 HTR1D (1.00) HTR1DHTR1B
SCHEMBL4355208 0.88 HTR1D (1.00) HTR1DHTR1B
SCHEMBL4578276 0.88 HTR1D (1.00) HTR1DHTR1B
SCHEMBL7474266 0.88 HTR1D (1.00) HTR1DHTR1B
SCHEMBL7479250 0.87 HTR1D (0.84) HTR1DHTR1B
SCHEMBL8647861 0.84 HTR1D (0.73) HTR1DHTR1B
SCHEMBL8694422 0.84 HTR1D (0.73) HTR1DHTR1B
SCHEMBL8648728 0.84 HTR1D (0.73) HTR1DHTR1B
SCHEMBL4579325 0.83 HTR1D (1.00) 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