SCHEMBL6653629

SCHEMBL6653629

C=CCOc1cc2c(cc1Br)C(C(=O)C(F)(F)F)(C(C)C)CNCC2

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 1/20 0.35
ADRA2B P18089 1/20 0.35
ADRA2C P18825 1/20 0.35
PTPN1 P18031 1/20 0.34
HTR2C P28335 4/20 0.32
HTR2B P41595 4/20 0.32
HTR2A P28223 3/20 0.32

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
SCHEMBL2365801 0.85 HTR2C (0.46) HTR2CHTR2BHTR2A
SCHEMBL2365775 0.76 PTPN1 (0.33) PTPN1
SCHEMBL2365632 0.74 ADRA2A (0.37) ADRA2AADRA2BADRA2C
SCHEMBL1907864 0.74 ADRA2A (0.37) ADRA2AADRA2BADRA2CHTR2CHTR2A
SCHEMBL1903335 0.72 PTPN1 (0.35) PTPN1
SCHEMBL6532681 0.70 HTR2C (0.49) HTR2CHTR2BHTR2A
SCHEMBL2365900 0.69 HTR2A (0.51) PTPN1HTR2CHTR2A
SCHEMBL1901752 0.66 HTR2C (0.69) ADRA2AADRA2BADRA2CPTPN1HTR2C
SCHEMBL1095399 0.66 HTR2C (0.69) ADRA2AADRA2BADRA2CPTPN1HTR2C
SCHEMBL1095400 0.66 HTR2C (0.69) ADRA2AADRA2BADRA2CPTPN1HTR2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1411881-A4 5HT sb 2C /sb RECEPTOR MODULATORS ARENA PHARM INC (US) 2004-07-07 EP disclosed
EP-1411881-A2 5HT sb 2C /sb RECEPTOR MODULATORS Arena Pharmaceuticals, Inc. (US) 2004-04-28 EP disclosed
WO-2003086306-A2 5HT2C RECEPTOR MODULATORS ARENA PHARMACEUTICALS, INC. (US) 2003-10-23 WO disclosed