SCHEMBL9943349

SCHEMBL9943349

NCCC(=O)N(CCc1c[nH]c2ccccc12)C(C(=O)NCc1ccccc1)c1ccc(Br)cc1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MC5R P33032 11/20 0.49
MC3R P41968 11/20 0.49
MC4R P32245 8/20 0.48
CDK4 P11802 1/20 0.47
CCND1 P24385 1/20 0.47
LMNA P02545 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
GOT1 P17174 1/20 0.45
KDM4E B2RXH2 1/20 0.44
MEN1 O00255 1/20 0.44
ALDH1A1 P00352 1/20 0.44
CYP3A4 P08684 1/20 0.44
MAPT P10636 1/20 0.44
ALOX15 P16050 1/20 0.44
TSHR P16473 1/20 0.44
MAPK1 P28482 1/20 0.44
KMT2A Q03164 1/20 0.44
HSD17B10 Q99714 1/20 0.44
TDP1 Q9NUW8 1/20 0.44

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
SCHEMBL9943313 0.91 MC5R (0.48) MC5RMC3RMC4RCDK4CCND1
SCHEMBL9943326 0.89 MC5R (0.46) MC5RMC3RMC4RCDK4CCND1
SCHEMBL9943288 0.89 MC5R (0.46) MC5RMC3RMC4RCDK4CCND1
SCHEMBL9943336 0.89 MC5R (0.48) MC5RMC3RMC4RCDK4CCND1
SCHEMBL9943264 0.88 GOT1 (0.50) MC5RMC3RMC4RCDK4CCND1
Hydrochloric Acid SCHEMBL9943307 0.88 MC5R (0.48) MC5RMC3RMC4RCDK4CCND1
SCHEMBL9943392 0.83 HPGD (0.47) MC5RMC3RMC4RCDK4CCND1
SCHEMBL9943335 0.80 GOT1 (0.49) MC5RMC3RMC4RCDK4CCND1
SCHEMBL9943341 0.80 HTR1A (0.48) MC5RMC4RCDK4CCND1LMNA
SCHEMBL2787992 0.80 GOT1 (0.49) MC5RMC3RCDK4CCND1LMNA

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