SCHEMBL1724852

SCHEMBL1724852

OC1CCc2cccc(Cc3ccccc3)c2C1

nearest known ligand 0.53

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 10/20 0.53
HTR2A P28223 1/20 0.40
HTR2C P28335 1/20 0.40
HTR2B P41595 1/20 0.40

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
SCHEMBL1452243 0.80 TRPV1 (0.42) TRPV1
SCHEMBL2733666 0.74 TRPV1 (0.49) TRPV1
SCHEMBL5677912 0.74 BCL2L1 (0.46) HTR2AHTR2CHTR2B
SCHEMBL2733639 0.74 TRPV1 (0.49) TRPV1
SCHEMBL2734503 0.74 TRPV1 (0.49) TRPV1
SCHEMBL4813078 0.72 CHRM3 (0.65) HTR2AHTR2CHTR2B
SCHEMBL6905933 0.72 HTR2A (0.41) HTR2AHTR2CHTR2B
SCHEMBL23045126 0.70 DRD2 (0.50) TRPV1
SCHEMBL23045121 0.70 TRPV1 (0.45) TRPV1
SCHEMBL23045125 0.70 CHRM3 (0.42) TRPV1

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
CN-102272081-B Tetrahydronaphthalen-2-ol derivatives MERCK SHARP & DOHME 2014-04-30 CN disclosed
EP-2406206-A1 TETRAHYDRONAPHTHALEN-2-OL DERIVATIVES MSD Oss B.V. (NL) 2012-01-18 EP disclosed
CN-102272081-A Tetrahydronaphthalen-2-ol derivatives 2011-12-07 CN disclosed
WO-2010103095-A1 TETRAHYDRONAPHTHALEN-2-OL DERIVATIVES N.V. ORGANON (NL) 2010-09-16 WO disclosed