SCHEMBL9943264

SCHEMBL9943264

NCCC(=O)N(CCc1c[nH]c2ccccc12)C(C(=O)Nc1ccccc1)c1ccc(Br)cc1

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GOT1 P17174 2/20 0.50
MC5R P33032 11/20 0.49
MC3R P41968 10/20 0.49
CDK4 P11802 1/20 0.48
CCND1 P24385 1/20 0.48
FPR2 P25090 1/20 0.47
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
MAPT P10636 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
MC4R P32245 7/20 0.45
STING1 Q86WV6 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
SCHEMBL9943335 0.91 GOT1 (0.49) GOT1MC5RMC3RCDK4CCND1
SCHEMBL2789272 0.91 GOT1 (0.50) GOT1MC5RMC3RCDK4CCND1
SCHEMBL2787992 0.89 GOT1 (0.49) GOT1MC5RMC3RCDK4CCND1
SCHEMBL9943315 0.89 GOT1 (0.44) GOT1MC5RMC3RCDK4CCND1
SCHEMBL9943323 0.89 GOT1 (0.44) GOT1MC5RMC3RCDK4CCND1
SCHEMBL9943282 0.88 MC5R (0.47) GOT1MC5RMC3RCDK4CCND1
SCHEMBL9943349 0.88 MC5R (0.49) GOT1MC5RMC3RCDK4CCND1
SCHEMBL2788142 0.88 GOT1 (0.53) GOT1MC5RMC3RCDK4CCND1
SCHEMBL9943439 0.85 MC5R (0.47) GOT1MC5RMC3RCDK4CCND1
SCHEMBL9943267 0.85 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