SCHEMBL9943335

SCHEMBL9943335

NCCC(=O)N(CCc1c[nH]c2ccccc12)C(C(=O)Nc1ccccc1)c1cccc(Br)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GOT1 P17174 2/20 0.49
MC5R P33032 6/20 0.49
MC3R P41968 6/20 0.49
CDK4 P11802 1/20 0.47
CCND1 P24385 1/20 0.47
STING1 Q86WV6 1/20 0.45
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
MAPT P10636 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
MC4R P32245 3/20 0.42
MGAM O43451 1/20 0.42
GAA P10253 1/20 0.42
SI P14410 1/20 0.42
MGAM2 Q2M2H8 1/20 0.42
FAAH O00519 1/20 0.41
TRPV1 Q8NER1 1/20 0.41
HDAC3 O15379 1/20 0.41
HDAC4 P56524 1/20 0.41
HDAC1 Q13547 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
SCHEMBL9943264 0.91 GOT1 (0.50) GOT1MC5RMC3RCDK4CCND1
SCHEMBL9943313 0.89 MC5R (0.48) GOT1MC5RMC3RCDK4CCND1
SCHEMBL9943315 0.87 GOT1 (0.44) GOT1MC5RMC3RCDK4CCND1
SCHEMBL9943323 0.87 GOT1 (0.44) GOT1MC5RMC3RCDK4CCND1
SCHEMBL2789272 0.86 GOT1 (0.50) GOT1MC5RMC3RCDK4CCND1
SCHEMBL9943282 0.85 MC5R (0.47) GOT1MC5RMC3RCDK4CCND1
SCHEMBL9943325 0.85 HPGD (0.44) GOT1MC5RMC3RCDK4CCND1
SCHEMBL2788142 0.83 GOT1 (0.53) GOT1MC5RMC3RCDK4CCND1
SCHEMBL9943439 0.82 MC5R (0.47) GOT1MC5RMC3RCDK4CCND1
SCHEMBL9943267 0.82 MC5R (0.49) MC5RMC3RCDK4CCND1MEN1

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