SCHEMBL9943285

SCHEMBL9943285

CN(C)CCC(=O)N(CCc1c[nH]c2ccc(Br)cc12)C(C(=O)NCc1ccccc1)c1ccccc1Br

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 1/20 0.44
MTNR1A P48039 1/20 0.42
MTNR1B P49286 1/20 0.42
CDK4 P11802 4/20 0.40
CCND1 P24385 3/20 0.40
HTR1B P28222 3/20 0.40
HTR1A P08908 2/20 0.40
HTR5A P47898 2/20 0.40
ADRA2A P08913 1/20 0.40
ADRA2B P18089 1/20 0.40
ADRA2C P18825 1/20 0.40
MAOA P21397 1/20 0.40
ADRA1D P25100 1/20 0.40
HTR2A P28223 1/20 0.40
HTR2C P28335 1/20 0.40
CHRNB4 P30926 1/20 0.40
CHRNA3 P32297 1/20 0.40
HTR7 P34969 1/20 0.40
ADRA1A P35348 1/20 0.40
HRH1 P35367 1/20 0.40

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
SCHEMBL9943341 0.93 HTR1A (0.48) SLC6A4CDK4CCND1HTR1BHTR1A
Acetamide SCHEMBL9943944 0.90 HTR1A (0.45) CDK4CCND1HTR1BHTR1AHTR5A
SCHEMBL9943336 0.84 MC5R (0.48) CDK4CCND1KDM4ECYP3A4TSHR
Hydrochloric Acid SCHEMBL9943307 0.84 MC5R (0.48) CDK4CCND1LMNA
SCHEMBL9943326 0.83 MC5R (0.46) CDK4CCND1LMNA
SCHEMBL9943288 0.83 MC5R (0.46) CDK4CCND1LMNA
SCHEMBL9943349 0.77 MC5R (0.49) CDK4CCND1KDM4ECYP3A4TSHR
SCHEMBL9943313 0.76 MC5R (0.48) CDK4CCND1LMNAKMT2A
SCHEMBL9943282 0.73 MC5R (0.47) CDK4CCND1ALDH1A1KMT2A
SCHEMBL7250093 0.73 SIGMAR1 (0.45) SLC6A4MTNR1AMTNR1BTSHRLMNA

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-2099815-B1 NOVEL AMIDES ACTING ON THE ADENOSINE RECEPTORS ANAMAR AB (SE) 2012-06-20 EP claimed
EP-2099815-B1 NOVEL AMIDES ACTING ON THE ADENOSINE RECEPTORS ANAMAR AB (SE) 2012-06-20 EP disclosed