SCHEMBL17435147

SCHEMBL17435147

C[C@@H](Oc1ccc2c(c1)N1CCNC[C@@H]1CC(=O)N2)c1ccc(F)c(F)c1F

nearest known ligand 0.39

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 15/20 0.39
HTR2B P41595 10/20 0.37
HTR2A P28223 9/20 0.37
BRD4 O60885 5/20 0.36
CREBBP Q92793 5/20 0.36
HTR6 P50406 3/20 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
SCHEMBL2016129 0.89 HTR2C (0.40) HTR2CHTR2BHTR2ABRD4CREBBP
SCHEMBL2017913 0.88 HTR2C (0.41) HTR2CHTR2BHTR2ABRD4CREBBP
SCHEMBL2017394 0.88 HTR2C (0.41) HTR2CHTR2BHTR2ABRD4CREBBP
SCHEMBL692434 0.82 BRD4 (0.55) HTR2CHTR2BHTR2ABRD4CREBBP
SCHEMBL2014277 0.82 BRD4 (0.55) HTR2CHTR2BHTR2ABRD4CREBBP
SCHEMBL2019541 0.82 HTR2C (0.42) HTR2CHTR2BHTR2AHTR6
SCHEMBL2017396 0.80 HTR2C (0.41) HTR2CHTR2BHTR2ABRD4CREBBP
SCHEMBL2556591 0.80 HTR2C (0.41) HTR2CHTR2BHTR2ABRD4CREBBP
SCHEMBL693191 0.78 HTR2C (0.58) HTR2CHTR2BHTR2AHTR6
SCHEMBL691878 0.78 HTR2C (0.58) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2522671-B1 Modulators of 5-HT receptors and methods of use thereof ABBVIE INC (US) 2016-01-20 EP disclosed