SCHEMBL8616709

SCHEMBL8616709

CCc1cc2c(cc1OCCN(C)C)N(C(=O)Nc1ccc(-c3ccncc3)c(Cl)c1)CC2

nearest known ligand 0.51

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 17/20 0.49
HTR2A P28223 14/20 0.49
HTR2B P41595 12/20 0.48
HTR1A P08908 1/20 0.45
HTR1D P28221 1/20 0.45
HTR1B P28222 1/20 0.45
CYP1A2 P05177 2/20 0.44

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
SCHEMBL8623325 0.93 HTR2C (0.51) HTR2CHTR2AHTR2BHTR1AHTR1D
SCHEMBL8616138 0.85 HTR1D (0.57) HTR2CHTR2AHTR2BHTR1AHTR1D
SCHEMBL8137640 0.80 HTR1A (0.63) HTR2CHTR2AHTR2BHTR1AHTR1D
SCHEMBL8617984 0.80 HTR1D (0.65) HTR2CHTR2AHTR2BHTR1AHTR1D
SCHEMBL8614116 0.76 HTR1D (0.57) HTR2CHTR2AHTR2BHTR1AHTR1D
SCHEMBL8617369 0.76 HTR1D (0.59) HTR2CHTR2AHTR2BHTR1AHTR1D
SCHEMBL8618277 0.75 HTR1A (0.47) HTR2CHTR2AHTR2BHTR1AHTR1D
SCHEMBL8617192 0.74 HTR1A (0.49) HTR2CHTR2AHTR2BHTR1AHTR1D
SCHEMBL8619486 0.74 HTR1D (0.51) HTR2CHTR2AHTR2BHTR1AHTR1D
SCHEMBL8660110 0.74 CHRNB1 (0.45) HTR2CHTR2AHTR2BHTR1AHTR1D

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
WO-1998050346-A2 ACETAMIDE AND UREA DERIVATIVES, PROCESS FOR THEIR PREPARATION AND THEIR USE IN THE TREATMENT OF CNS DISORDERS SMITHKLINE BEECHAM PLC (GB) 1998-11-12 WO disclosed