SCHEMBL14993793

SCHEMBL14993793

c1cc2c(c3c1NCOC3)CCCO2

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ HTR2C P28335 9/20 0.36
▸ HTR2A P28223 7/20 0.36
▸ HTR2B P41595 7/20 0.36
▸ HTR1A P08908 6/20 0.36
▸ HTR1D P28221 5/20 0.36
▸ HTR6 P50406 2/20 0.34
▸ HTR4 Q13639 2/20 0.34
▸ ADRA2A P08913 1/20 0.34
▸ ADRA2C P18825 1/20 0.34
▸ HTR1B P28222 1/20 0.34
▸ HTR7 P34969 1/20 0.34
▸ CDK1 P06493 1/20 0.32
▸ MAPKAPK2 P49137 1/20 0.32
▸ MTNR1A P48039 2/20 0.31
▸ MTNR1B P49286 2/20 0.31
▸ RIPK1 Q13546 1/20 0.31
▸ NOTUM Q6P988 1/20 0.31

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
SCHEMBL1143507 0.76 HTR2C (0.45) HTR2CHTR2AHTR2BHTR1AHTR1D
SCHEMBL9626819 0.68 PKM (0.39) HTR2CHTR2AHTR2BHTR1AHTR1D
SCHEMBL26130378 0.65 HTR2A (0.42) HTR2CHTR2AHTR2BHTR1AHTR1D
SCHEMBL4708855 0.65 DYRK1A (0.40) HTR2CHTR2AHTR2BHTR1AHTR1D
SCHEMBL5785528 0.65 MAPT (0.40) HTR2CHTR2AHTR2BHTR1AHTR1D
SCHEMBL8889464 0.63 HTR2C (0.39) HTR2CHTR2AHTR2BHTR1AHTR1D
SCHEMBL13035776 0.62 HTR2C (0.43) HTR2CHTR2AHTR2BHTR1AHTR1D
SCHEMBL19827780 0.62 MTNR1A (0.39) HTR2CHTR2AHTR2BHTR1AHTR1D
SCHEMBL19827779 0.62 MTNR1A (0.41) HTR2CHTR2AHTR2BHTR1AHTR1D
SCHEMBL19756703 0.61 CYP2A6 (0.37) HTR2CHTR2AHTR2BHTR1AHTR1D

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-2785722-A1 TOCOTRIENOL DERIVATIVES AND ASSOCIATED METHODS First Tech International Limited (CN) 2014-10-08 — — EP claimed
WO-2013082570-A1 TOCOTRIENOL DERIVATIVES AND ASSOCIATED METHODS FIRST TECH INTERNATIONAL LIMITED (CN) 2013-06-06 — — WO claimed
EP-2785722-A1 TOCOTRIENOL DERIVATIVES AND ASSOCIATED METHODS First Tech International Limited (CN) 2014-10-08 — — EP disclosed
WO-2013082570-A1 TOCOTRIENOL DERIVATIVES AND ASSOCIATED METHODS FIRST TECH INTERNATIONAL LIMITED (CN) 2013-06-06 — — WO disclosed
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