SCHEMBL2575116

SCHEMBL2575116

Oc1cccc(-c2ccc3c(c2)N2CCNCC2CCO3)c1

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 17/20 0.43
HTR2B P41595 17/20 0.43
HTR2A P28223 6/20 0.43
OPRM1 P35372 1/20 0.37
ABL1 P00519 1/20 0.36
EGFR P00533 1/20 0.36
SRC P12931 1/20 0.36
ABL2 P42684 1/20 0.36

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
SCHEMBL2016192 1.00 HTR2C (0.43) HTR2CHTR2BHTR2AOPRM1ABL1
SCHEMBL692898 0.91 HTR2C (0.43) HTR2CHTR2BHTR2AOPRM1ABL1
SCHEMBL2020139 0.90 HTR2C (0.41) HTR2CHTR2BHTR2A
SCHEMBL2576587 0.89 HTR2C (0.49) HTR2CHTR2BHTR2A
SCHEMBL2013664 0.89 HTR2C (0.49) HTR2CHTR2BHTR2A
SCHEMBL2562895 0.87 HTR2C (0.46) HTR2CHTR2BHTR2A
SCHEMBL2021535 0.87 HTR2C (0.48) HTR2CHTR2BHTR2A
SCHEMBL2572350 0.87 HTR2C (0.48) HTR2CHTR2BHTR2A
SCHEMBL2016529 0.87 HTR2C (0.46) HTR2CHTR2BHTR2A
SCHEMBL2582057 0.84 HTR2C (0.40) 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 4 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
EP-2560973-A1 MODULATORS OF 5-HT RECEPTORS AND METHODS OF USE THEREOF Abbvie Inc. (US) 2013-02-27 EP disclosed
WO-2011133182-A1 MODULATORS OF 5-HT RECEPTORS AND METHODS OF USE THEREOF ABBOTT LABORATORIES (US) 2011-10-27 WO disclosed