SCHEMBL7525124

SCHEMBL7525124

COc1ccc(NC(=O)Nc2ccc(C)c(Cl)c2)cc1N1CCN(C)CC1

nearest known ligand 0.66

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HTR1D P28221 17/20 0.66
HTR1B P28222 16/20 0.66
HTR1A P08908 15/20 0.66
HTR2A P28223 5/20 0.66
HTR2C P28335 5/20 0.66
HTR6 P50406 4/20 0.66
HTR7 P34969 2/20 0.66
MALT1 Q9UDY8 1/20 0.57

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
Hydrochloric Acid SCHEMBL5827584 0.99 HTR1D (0.64) HTR1DHTR1BHTR1AHTR2AHTR2C
SCHEMBL7526728 0.88 MALT1 (0.64) HTR1DHTR1BHTR2AMALT1
Hydrochloric Acid SCHEMBL5827022 0.87 MALT1 (0.62) HTR1DHTR1BHTR2AMALT1
SCHEMBL8400880 0.85 HTR1D (0.79) HTR1DHTR1BHTR1AHTR2AHTR2C
Tert-Butanol SCHEMBL5828222 0.85 HTR1D (0.54) HTR1DHTR1BHTR1AHTR2AHTR2C
SCHEMBL8402123 0.84 HTR1D (0.65) HTR1DHTR1BHTR1AHTR2AHTR2C
SCHEMBL8122186 0.82 MEN1 (0.60) HTR1DHTR1BHTR1AHTR2AHTR2C
SCHEMBL8399188 0.81 HTR1D (0.67) HTR1DHTR1BHTR1AHTR2AHTR2C
SCHEMBL8626746 0.80 HTR1D (0.64) HTR1DHTR1BHTR1AHTR2AHTR2C
SCHEMBL8133761 0.80 KMT2A (0.62) HTR1DHTR1BHTR1AHTR2AHTR2C

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-1170288-A2 Diphenylureum derivatives and their use as alpha2/5-HT2c antagonists LES LABORATOIRES SERVIER (FR) 2002-01-09 EP disclosed