SCHEMBL6015072

SCHEMBL6015072

Cc1cccc(C2CNCCN2C(N)=O)c1C

nearest known ligand 0.45

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 8/20 0.43
HTR2B P41595 6/20 0.43
HTR2A P28223 5/20 0.43
TACR1 P25103 10/20 0.42
ADRB1 P08588 1/20 0.42

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
SCHEMBL15824978 0.89 TAAR1 (0.43) HTR2CHTR2BHTR2ATACR1
SCHEMBL669693 0.80 HTR2C (0.50) HTR2CHTR2BHTR2A
SCHEMBL15824963 0.80 HTR2C (0.40) HTR2CHTR2BHTR2A
SCHEMBL2650583 0.78 HTR2C (0.41) HTR2CHTR2BHTR2AADRB1
SCHEMBL14698726 0.78 HTR2C (0.54) HTR2CHTR2BHTR2AADRB1
SCHEMBL30593287 0.78 HTR2C (0.54) HTR2CHTR2BHTR2AADRB1
Dimethylamine SCHEMBL27980772 0.77 HTR2C (0.47) HTR2CHTR2BHTR2A
SCHEMBL18284815 0.77 TAAR1 (0.44) HTR2CHTR2BHTR2ATACR1
SCHEMBL1693684 0.76 HTR2C (0.42) HTR2CHTR2BHTR2ATACR1ADRB1
SCHEMBL30718523 0.76 ADRB1 (0.43) HTR2CHTR2BHTR2AADRB1

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-1695961-A1 UREA DERIVATIVE, PROCESS FOR PRODUCING THE SAME, AND USE Takeda Pharmaceutical Company Limited (JP) 2006-08-30 EP disclosed