SCHEMBL697549

SCHEMBL697549

COc1ccc2c(c1)N1CCNCC1CCO2

nearest known ligand 0.61

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 16/20 0.61
HTR2B P41595 14/20 0.61
HTR6 P50406 2/20 0.47
HTR2A P28223 3/20 0.47
HTR3E A5X5Y0 1/20 0.39
HTR3B O95264 1/20 0.39
HTR3A P46098 1/20 0.39
HTR3D Q70Z44 1/20 0.39
HTR3C Q8WXA8 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
SCHEMBL2018076 1.00 HTR2C (0.61) HTR2CHTR2BHTR6HTR2AHTR3E
SCHEMBL2019818 0.91 HTR2C (0.54) HTR2CHTR2BHTR6HTR2A
SCHEMBL2017216 0.90 HTR2C (0.65) HTR2CHTR2BHTR6HTR2AHTR3E
SCHEMBL2018056 0.88 HTR2C (0.51) HTR2CHTR2BHTR6HTR2AHTR3A
SCHEMBL3627752 0.84 HTR2C (0.57) HTR2CHTR2BHTR6HTR2A
SCHEMBL692581 0.84 HTR2C (0.47) HTR2CHTR2BHTR6HTR2A
SCHEMBL2019564 0.84 HTR2C (0.47) HTR2CHTR2BHTR6HTR2A
SCHEMBL2021572 0.84 HTR2C (0.47) HTR2CHTR2BHTR6HTR2A
SCHEMBL2018378 0.81 HTR2C (0.48) HTR2CHTR2BHTR6HTR2A
SCHEMBL2591154 0.81 HTR2C (0.48) HTR2CHTR2BHTR6HTR2A

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-2421870-A2 MODULATORS OF 5-HT RECEPTORS AND METHODS OF USE THEREOF Abbott Laboratories (US) 2012-02-29 EP claimed
WO-2010124042-A2 MODULATORS OF 5-HT RECEPTORS AND METHODS OF USE THEREOF ABBOTT LABORATORIES (US) 2010-10-28 WO claimed
EP-2421870-A2 MODULATORS OF 5-HT RECEPTORS AND METHODS OF USE THEREOF Abbott Laboratories (US) 2012-02-29 EP disclosed
WO-2010124042-A2 MODULATORS OF 5-HT RECEPTORS AND METHODS OF USE THEREOF ABBOTT LABORATORIES (US) 2010-10-28 WO disclosed