SCHEMBL9943282

SCHEMBL9943282

NCCC(=O)N(CCc1c[nH]c2ccccc12)C(C(=O)Nc1ccccc1)c1ccccc1Br

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MC5R P33032 13/20 0.47
MC3R P41968 12/20 0.47
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
CDK4 P11802 2/20 0.45
CCND1 P24385 2/20 0.45
MAPT P10636 2/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
MC4R P32245 9/20 0.44
GOT1 P17174 1/20 0.43
ALDH1A1 P00352 1/20 0.41
GAA P10253 1/20 0.41

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
SCHEMBL2788385 0.93 CDK4 (0.44) MC5RMC3RCDK4CCND1MAPT
SCHEMBL9943323 0.91 GOT1 (0.44) MC5RMC3RMEN1KMT2ACDK4
SCHEMBL9943315 0.91 GOT1 (0.44) MC5RMC3RMEN1KMT2ACDK4
SCHEMBL9943267 0.89 MC5R (0.49) MC5RMC3RMEN1KMT2ACDK4
SCHEMBL9943439 0.89 MC5R (0.47) MC5RMC3RMEN1KMT2ACDK4
SCHEMBL2787736 0.89 MEN1 (0.45) MC5RMC3RMEN1KMT2ACDK4
SCHEMBL9943336 0.89 MC5R (0.48) MC5RMC3RMEN1KMT2ACDK4
SCHEMBL9943264 0.88 GOT1 (0.50) MC5RMC3RMEN1KMT2ACDK4
Hydrochloric Acid SCHEMBL9943307 0.88 MC5R (0.48) MC5RMC3RCDK4CCND1SMN1; SMN2
SCHEMBL2788511 0.88 CDK4 (0.48) MC5RMC3RMEN1KMT2ACDK4

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