SCHEMBL2556591

SCHEMBL2556591

CCC(C)Oc1ccc2c(c1)N1CCNCC1CC(=O)N2

nearest known ligand 0.41

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 18/20 0.41
HTR2B P41595 16/20 0.41
HTR2A P28223 13/20 0.41
HTR6 P50406 1/20 0.39
BRD4 O60885 2/20 0.36
CREBBP Q92793 2/20 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
SCHEMBL2017396 1.00 HTR2C (0.41) HTR2CHTR2BHTR2AHTR6BRD4
SCHEMBL2015846 0.88 CREBBP (0.40) HTR2CHTR2BHTR2AHTR6BRD4
SCHEMBL2019627 0.88 CREBBP (0.40) HTR2CHTR2BHTR2AHTR6BRD4
SCHEMBL692525 0.88 CREBBP (0.40) HTR2CHTR2BHTR2AHTR6BRD4
SCHEMBL2016837 0.88 CREBBP (0.40) HTR2CHTR2BHTR2AHTR6BRD4
SCHEMBL692948 0.88 BRD4 (0.42) HTR2CHTR2BHTR2AHTR6BRD4
SCHEMBL2018403 0.88 CREBBP (0.40) HTR2CHTR2BHTR2AHTR6BRD4
SCHEMBL2017687 0.88 CREBBP (0.40) HTR2CHTR2BHTR2AHTR6BRD4
SCHEMBL2019541 0.85 HTR2C (0.42) HTR2CHTR2BHTR2AHTR6
SCHEMBL691343 0.85 HTR2C (0.47) HTR2CHTR2BHTR2AHTR6

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