SCHEMBL9943313

SCHEMBL9943313

NCCC(=O)N(CCc1c[nH]c2ccccc12)C(C(=O)NCc1ccccc1)c1cccc(Br)c1

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MC5R P33032 11/20 0.48
MC3R P41968 11/20 0.48
CDK4 P11802 1/20 0.47
CCND1 P24385 1/20 0.47
MC4R P32245 8/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
GOT1 P17174 1/20 0.44
LMNA P02545 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43

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
SCHEMBL9943349 0.91 MC5R (0.49) MC5RMC3RCDK4CCND1MC4R
SCHEMBL9943335 0.89 GOT1 (0.49) MC5RMC3RCDK4CCND1MC4R
SCHEMBL9943288 0.88 MC5R (0.46) MC5RMC3RCDK4CCND1MC4R
SCHEMBL9943326 0.88 MC5R (0.46) MC5RMC3RCDK4CCND1MC4R
SCHEMBL9943336 0.85 MC5R (0.48) MC5RMC3RCDK4CCND1MC4R
Hydrochloric Acid SCHEMBL9943307 0.85 MC5R (0.48) MC5RMC3RCDK4CCND1MC4R
SCHEMBL9943325 0.84 HPGD (0.44) MC5RMC3RCDK4CCND1MC4R
SCHEMBL9943264 0.80 GOT1 (0.50) MC5RMC3RCDK4CCND1MC4R
SCHEMBL9943341 0.77 HTR1A (0.48) MC5RCDK4CCND1MC4RMEN1
SCHEMBL9943315 0.77 GOT1 (0.44) MC5RMC3RCDK4CCND1MC4R

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