SCHEMBL2562086

SCHEMBL2562086

c1ccc(-c2cccc(-c3ccc4c(c3)N3CCNCC3CCN4)c2)cc1

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 18/20 0.52
HTR2B P41595 14/20 0.52
HTR2A P28223 8/20 0.44
MEN1 O00255 2/20 0.42
GAA P10253 2/20 0.42
KMT2A Q03164 2/20 0.42
KDM4E B2RXH2 1/20 0.42
NPC1 O15118 1/20 0.42
MAPT P10636 1/20 0.42
RXFP1 Q9HBX9 1/20 0.42

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
SCHEMBL2575196 0.89 HTR2C (0.57) HTR2CHTR2BHTR2AMEN1GAA
SCHEMBL2572371 0.88 HTR2C (0.50) HTR2CHTR2BHTR2AMEN1GAA
SCHEMBL692986 0.87 HTR2C (0.46) HTR2CHTR2BHTR2AMEN1GAA
SCHEMBL14714341 0.86 HTR2C (0.53) HTR2CHTR2BHTR2AMEN1GAA
SCHEMBL692987 0.84 HTR2C (0.48) HTR2CHTR2BHTR2AMEN1GAA
SCHEMBL2566042 0.82 HTR7 (0.44) HTR2CHTR2BHTR2AMEN1GAA
SCHEMBL691496 0.80 HTR2C (0.61) HTR2CHTR2BHTR2AMEN1GAA
SCHEMBL692901 0.80 HTR2C (0.44) HTR2CHTR2BHTR2A
SCHEMBL2017936 0.78 HTR2C (0.60) HTR2CHTR2BHTR2A
SCHEMBL2576035 0.78 HTR2C (0.43) HTR2CHTR2BHTR2A

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-2560973-A1 MODULATORS OF 5-HT RECEPTORS AND METHODS OF USE THEREOF Abbvie Inc. (US) 2013-02-27 EP claimed
WO-2011133182-A1 MODULATORS OF 5-HT RECEPTORS AND METHODS OF USE THEREOF ABBOTT LABORATORIES (US) 2011-10-27 WO claimed