SCHEMBL9943341

SCHEMBL9943341

CN(C)CCC(=O)N(CCc1c[nH]c2ccccc12)C(C(=O)NCc1ccccc1)c1ccccc1Br

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 2/20 0.48
HTR2A P28223 2/20 0.48
HTR2C P28335 2/20 0.48
HTR2B P41595 2/20 0.48
ADRA2A P08913 1/20 0.48
ADRA2B P18089 1/20 0.48
ADRA2C P18825 1/20 0.48
MAOA P21397 1/20 0.48
ADRA1D P25100 1/20 0.48
HTR1B P28222 1/20 0.48
CHRNB4 P30926 1/20 0.48
CHRNA3 P32297 1/20 0.48
HTR7 P34969 1/20 0.48
ADRA1A P35348 1/20 0.48
HRH1 P35367 1/20 0.48
ADRA1B P35368 1/20 0.48
HTR5A P47898 1/20 0.48
HTR6 P50406 1/20 0.48
CDK4 P11802 5/20 0.47
CCND1 P24385 4/20 0.47

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
Acetamide SCHEMBL9943944 0.97 HTR1A (0.45) HTR1AHTR2AHTR2CHTR2BADRA2A
SCHEMBL9943285 0.93 SLC6A4 (0.44) HTR1AHTR2AHTR2CHTR2BADRA2A
SCHEMBL9943336 0.91 MC5R (0.48) CDK4CCND1KMT2AKDM4EMEN1
Hydrochloric Acid SCHEMBL9943307 0.91 MC5R (0.48) CDK4CCND1LMNASMN1; SMN2MC4R
SCHEMBL9943326 0.83 MC5R (0.46) CDK4CCND1LMNASMN1; SMN2HDAC3
SCHEMBL9943288 0.83 MC5R (0.46) CDK4CCND1LMNASMN1; SMN2MC4R
SCHEMBL9943282 0.80 MC5R (0.47) CDK4CCND1KMT2AMEN1ALDH1A1
SCHEMBL9943349 0.80 MC5R (0.49) CDK4CCND1KMT2AKDM4EMEN1
SCHEMBL9943313 0.77 MC5R (0.48) CDK4CCND1KMT2AMEN1LMNA
SCHEMBL2787736 0.77 MEN1 (0.45) CDK4CCND1KMT2AKDM4EMEN1

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