SCHEMBL2562895

SCHEMBL2562895

Cc1cccc(-c2ccc3c(c2)N2CCNCC2CCO3)c1

nearest known ligand 0.46

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 19/20 0.46
HTR2B P41595 16/20 0.46
HTR6 P50406 3/20 0.44
HTR2A P28223 4/20 0.43

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
SCHEMBL2016529 1.00 HTR2C (0.46) HTR2CHTR2BHTR6HTR2A
SCHEMBL692398 0.91 HTR2C (0.46) HTR2CHTR2BHTR6HTR2A
SCHEMBL2019854 0.90 HTR2C (0.44) HTR2CHTR2BHTR6HTR2A
SCHEMBL2576587 0.89 HTR2C (0.49) HTR2CHTR2BHTR2A
SCHEMBL2013664 0.89 HTR2C (0.49) HTR2CHTR2BHTR2A
SCHEMBL2021572 0.87 HTR2C (0.47) HTR2CHTR2BHTR6HTR2A
SCHEMBL2019564 0.87 HTR2C (0.47) HTR2CHTR2BHTR6HTR2A
SCHEMBL692581 0.87 HTR2C (0.47) HTR2CHTR2BHTR6HTR2A
SCHEMBL2572350 0.87 HTR2C (0.48) HTR2CHTR2BHTR6HTR2A
SCHEMBL2575116 0.87 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