SCHEMBL9943323

SCHEMBL9943323

NCCC(=O)N(CCc1c[nH]c2ccccc12)C(C(=O)Nc1ccccc1)c1cc(Br)ccc1Br

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GOT1 P17174 2/20 0.44
MC5R P33032 7/20 0.44
MC3R P41968 6/20 0.44
ITGB2 P05107 1/20 0.43
ICAM1 P05362 1/20 0.43
ITGAL P20701 1/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
CDK2 P24941 2/20 0.42
CDK4 P11802 2/20 0.42
CCND1 P24385 2/20 0.42
MC4R P32245 4/20 0.42
MAPT P10636 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
FPR2 P25090 1/20 0.42

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
SCHEMBL9943315 0.93 GOT1 (0.44) GOT1MC5RMC3RITGB2ICAM1
SCHEMBL9943282 0.91 MC5R (0.47) GOT1MC5RMC3RMEN1KMT2A
SCHEMBL9943326 0.89 MC5R (0.46) MC5RMC3RITGB2ICAM1ITGAL
SCHEMBL9943264 0.89 GOT1 (0.50) GOT1MC5RMC3RMEN1KMT2A
SCHEMBL9943335 0.87 GOT1 (0.49) GOT1MC5RMC3RMEN1KMT2A
SCHEMBL2790032 0.87 GOT1 (0.44) GOT1MC5RMC3RCDK4CCND1
SCHEMBL2788385 0.85 CDK4 (0.44) GOT1MC5RMC3RCDK4CCND1
SCHEMBL9943291 0.85 SOS1 (0.45) MC5RMC3RMEN1KMT2ACDK4
SCHEMBL9943439 0.84 MC5R (0.47) GOT1MC5RMC3RMEN1KMT2A
SCHEMBL9943267 0.84 MC5R (0.49) 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