SCHEMBL7084892

SCHEMBL7084892

CC(C)c1c[nH]c2ccc(Oc3c(C4CC4)cc(N)cc3C3CC3)cc12

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
THRA P10827 10/20 0.46
THRB P10828 10/20 0.46
HTR2A P28223 2/20 0.43
HTR2C P28335 2/20 0.43
HTR2B P41595 2/20 0.43
HTR1D P28221 3/20 0.40
HTR1B P28222 3/20 0.40
MTNR1A P48039 1/20 0.35
MTNR1B P49286 1/20 0.35

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
SCHEMBL7088599 0.84 THRA (0.45) THRATHRBHTR2AHTR2CHTR2B
SCHEMBL7086230 0.82 THRA (0.60) THRATHRBHTR2AHTR2CHTR2B
SCHEMBL6512292 0.82 THRA (0.59) THRATHRBHTR2AHTR2CHTR2B
SCHEMBL6512367 0.81 THRB (0.63) THRATHRBHTR2AHTR2CHTR2B
SCHEMBL7091262 0.80 THRA (0.61) THRATHRBHTR2AHTR2CHTR2B
SCHEMBL7082352 0.78 THRA (0.69) THRATHRBHTR2AHTR2CHTR2B
SCHEMBL6515707 0.77 THRB (0.60) THRATHRBHTR2AHTR2CHTR2B
SCHEMBL29844872 0.71 ROCK1 (0.48) THRATHRBHTR2AHTR2CHTR2B
SCHEMBL12180277 0.71 HTR2B (0.70) HTR2AHTR2CHTR2BHTR1DHTR1B
SCHEMBL7085352 0.71 THRA (0.53) THRATHRBHTR2AHTR2CHTR2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1268422-A1 INDOLES FOR TREATING DISEASES THAT CAN BE TREATED USING THYROID HORMONES Bayer Aktiengesellschaft (DE) 2003-01-02 EP disclosed
WO-2001070687-A1 INDOLES FOR TREATING DISEASES THAT CAN BE TREATED USING THYROID HORMONES BAYER AKTIENGESELLSCHAFT (DE) 2001-09-27 WO disclosed