SCHEMBL13679042

SCHEMBL13679042

Bc1cc2c(cc1OCC=C)CCNCC2C

nearest known ligand 0.52

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 20/20 0.52
HTR2A P28223 19/20 0.52
HTR2B P41595 18/20 0.52

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
SCHEMBL13679034 0.86 HTR2C (0.53) HTR2CHTR2AHTR2B
SCHEMBL1096662 0.85 HTR2A (0.66) HTR2CHTR2AHTR2B
SCHEMBL1095337 0.85 HTR2C (0.73) HTR2CHTR2AHTR2B
SCHEMBL1095023 0.85 HTR2A (0.66) HTR2CHTR2AHTR2B
SCHEMBL1095335 0.85 HTR2C (0.73) HTR2CHTR2AHTR2B
SCHEMBL1096664 0.85 HTR2A (0.66) HTR2CHTR2AHTR2B
SCHEMBL1095360 0.85 HTR2C (0.66) HTR2CHTR2AHTR2B
SCHEMBL1095158 0.85 HTR2C (0.66) HTR2CHTR2AHTR2B
SCHEMBL1095359 0.85 HTR2C (0.66) HTR2CHTR2AHTR2B
SCHEMBL1096554 0.85 HTR2C (0.73) HTR2CHTR2AHTR2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1833473-B1 5HT2C RECEPTOR MODULATOR COMPOSITIONS AND METHODS OF USE ARENA PHARM INC (US) 2009-09-09 EP disclosed