SCHEMBL6984598

SCHEMBL6984598

Cc1cc(N)cc(C)c1Oc1ccc2[nH]cc(CC(C)C)c2c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 5/20 0.53
HTR2A P28223 5/20 0.53
HTR2B P41595 4/20 0.53
HTR1A P08908 4/20 0.53
HTR1B P28222 4/20 0.46
THRA P10827 2/20 0.44
THRB P10828 2/20 0.44
GPR84 Q9NQS5 1/20 0.44
TRPM8 Q7Z2W7 2/20 0.43
CYP1A2 P05177 4/20 0.43
CYP2D6 P10635 3/20 0.43
HTR6 P50406 2/20 0.43
KMT2A Q03164 2/20 0.43
SLC6A2 P23975 1/20 0.43
SLC6A4 P31645 1/20 0.43
MTOR P42345 1/20 0.43
SLC6A3 Q01959 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
MEN1 O00255 1/20 0.43
TP53 P04637 1/20 0.43

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
SCHEMBL7089278 0.84 HTR1A (0.52) HTR2CHTR2AHTR2BHTR1AHTR1B
SCHEMBL7088760 0.84 THRA (0.52) HTR2CHTR2AHTR2BHTR1AHTR1B
SCHEMBL7088361 0.83 HTR2A (0.46) HTR2CHTR2AHTR2BHTR1AHTR1B
SCHEMBL6853790 0.82 THRA (0.55) HTR2CHTR2AHTR2BHTR1AHTR1B
SCHEMBL7082348 0.82 THRA (0.55) HTR2CHTR2AHTR2BHTR1AHTR1B
SCHEMBL6514219 0.81 THRA (0.54) HTR2CHTR2AHTR2BHTR1AHTR1B
SCHEMBL6512292 0.81 THRA (0.59) HTR2CHTR2AHTR2BHTR1ATHRA
SCHEMBL7085352 0.80 THRA (0.53) HTR2CHTR2AHTR2BHTR1ATHRA
SCHEMBL7087898 0.80 HTR2C (0.49) HTR2CHTR2AHTR2BHTR1AHTR1B
SCHEMBL6989252 0.80 HTR2B (0.49) HTR2CHTR2AHTR2BHTR1AHTR1B

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