SCHEMBL1163402

SCHEMBL1163402

COCc1c(-c2ccccc2)cc(F)c2[nH]cc(CCN(C)C)c12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 7/20 0.48
HTR2A P28223 5/20 0.44
HTR2C P28335 4/20 0.44
HTR2B P41595 4/20 0.44
HTR6 P50406 4/20 0.40
HTR1D P28221 3/20 0.38
TRPM8 Q7Z2W7 1/20 0.38
TAAR1 Q96RJ0 1/20 0.38
HTR1B P28222 2/20 0.37
HTR1E P28566 2/20 0.37
HTR7 P34969 2/20 0.37
HTR5A P47898 2/20 0.37
MPO P05164 1/20 0.37
DRD1 P21728 1/20 0.37
ADORA2A P29274 1/20 0.37
ADORA2B P29275 1/20 0.37
DRD3 P35462 1/20 0.37
HTR3E A5X5Y0 1/20 0.36
HTR3B O95264 1/20 0.36
CYP1A2 P05177 1/20 0.36

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
SCHEMBL4395931 0.74 HTR2A (0.57) HTR1AHTR2AHTR2CHTR2BHTR6
SCHEMBL25532603 0.72 HTR1A (0.50) HTR1AHTR2AHTR2CHTR2BHTR6
SCHEMBL1163911 0.72 HTR1A (0.48) HTR1AHTR2AHTR2CHTR2BHTR6
SCHEMBL1163435 0.71 MTNR1A (0.40) HTR1AHTR2ACYP2D6MTNR1AMTNR1B
SCHEMBL24420538 0.70 HTR1A (0.69) HTR1AHTR2AHTR2CHTR2BHTR6
SCHEMBL4401430 0.70 HTR1A (0.78) HTR1AHTR2AHTR2CHTR2BHTR6
SCHEMBL1163398 0.70 HTR2A (0.66) HTR1AHTR2AHTR2CHTR2BHTR6
SCHEMBL30483753 0.69 HTR1A (0.67) HTR1AHTR2AHTR2CHTR2BHTR6
SCHEMBL25282377 0.69 HTR1A (0.67) HTR1AHTR2AHTR2CHTR2BHTR6
SCHEMBL13592867 0.67 HTR1A (0.50) HTR1AHTR2AHTR2CHTR2BHTR6

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-2464227-A1 COMPOUNDS AND METHODS OF USE THEREOF Galenea Corporation (US) 2012-06-20 EP disclosed
WO-2011019738-A1 COMPOUNDS AND METHODS OF USE THEREOF GALENEA CORPORATION (US) 2011-02-17 WO disclosed