SCHEMBL14714341

SCHEMBL14714341

Fc1ccc(-c2ccc3c(c2)N2CCNCC2CCN3)cc1

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 17/20 0.53
HTR2B P41595 11/20 0.53
HTR6 P50406 1/20 0.46
HTR2A P28223 4/20 0.41
MEN1 O00255 1/20 0.41
ALDH1A1 P00352 1/20 0.41
GAA P10253 1/20 0.41
MAPT P10636 1/20 0.41
MAPK1 P28482 1/20 0.41
KMT2A Q03164 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
HTR1A P08908 1/20 0.39
HTR7 P34969 1/20 0.39

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
SCHEMBL2572371 0.89 HTR2C (0.50) HTR2CHTR2BHTR6HTR2AMEN1
SCHEMBL2562086 0.86 HTR2C (0.52) HTR2CHTR2BHTR2AMEN1GAA
SCHEMBL692986 0.83 HTR2C (0.46) HTR2CHTR2BHTR2AMEN1GAA
SCHEMBL2575196 0.81 HTR2C (0.57) HTR2CHTR2BHTR6HTR2AMEN1
SCHEMBL2016944 0.80 HTR2C (0.48) HTR2CHTR2BHTR6HTR2AALDH1A1
SCHEMBL2017936 0.79 HTR2C (0.60) HTR2CHTR2BHTR2A
SCHEMBL14714340 0.79 HTR2C (0.60) HTR2CHTR2BHTR2A
SCHEMBL2566042 0.79 HTR7 (0.44) HTR2CHTR2BHTR2AMEN1GAA
SCHEMBL2020219 0.78 HTR2C (0.51) HTR2CHTR2BHTR6HTR2AHTR1A
SCHEMBL2572284 0.78 HTR2C (0.51) HTR2CHTR2BHTR6HTR2AHTR1A

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 1 patent. 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 disclosed