SCHEMBL6208865

SCHEMBL6208865

Brc1c(Br)c2c(c3c1CCC3)CCO2

nearest known ligand 0.45

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 2/20 0.39
HTR2C P28335 2/20 0.39
HTR2B P41595 2/20 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
SCHEMBL18029724 0.74 HTR2A (0.39) HTR2AHTR2CHTR2B
SCHEMBL18007628 0.74 HTR2A (0.39) HTR2AHTR2CHTR2B
SCHEMBL21586422 0.71 HTR2A (0.37) HTR2AHTR2CHTR2B
SCHEMBL19869245 0.70 HTR2A (0.43) HTR2AHTR2CHTR2B
SCHEMBL338146 0.68 HTR2A (0.35) HTR2AHTR2CHTR2B
SCHEMBL21962060 0.67
SCHEMBL9465522 0.64
SCHEMBL3337706 0.62 HTR2A (0.31) HTR2AHTR2CHTR2B
SCHEMBL19067197 0.61
SCHEMBL18007616 0.60

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1550655-A1 Bicyclic intermediates Takeda Pharmaceutical Company Limited (JP) 2005-07-06 EP disclosed
EP-0885210-B1 Tricylic compounds having binding affinity for melatonin receptors, their production and use TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2002-06-12 EP disclosed
EP-1199304-A1 Bicyclic compounds and pharmaceutical composition containing tricyclic compound for treating or preventing sleep disorders Takeda Chemical Industries, Ltd. (JP) 2002-04-24 EP disclosed