SCHEMBL9943336

SCHEMBL9943336

NCCC(=O)N(CCc1c[nH]c2ccccc12)C(C(=O)NCc1ccccc1)c1ccccc1Br

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MC5R P33032 12/20 0.48
MC3R P41968 11/20 0.48
MC4R P32245 9/20 0.48
LMNA P02545 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
CDK4 P11802 1/20 0.44
CCND1 P24385 1/20 0.44
KDM4E B2RXH2 1/20 0.43
MEN1 O00255 1/20 0.43
ALDH1A1 P00352 1/20 0.43
CYP3A4 P08684 1/20 0.43
MAPT P10636 1/20 0.43
ALOX15 P16050 1/20 0.43
TSHR P16473 1/20 0.43
MAPK1 P28482 1/20 0.43
KMT2A Q03164 1/20 0.43
HSD17B10 Q99714 1/20 0.43
TDP1 Q9NUW8 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
Hydrochloric Acid SCHEMBL9943307 0.99 MC5R (0.48) MC5RMC3RMC4RLMNASMN1; SMN2
SCHEMBL9943326 0.92 MC5R (0.46) MC5RMC3RMC4RLMNASMN1; SMN2
SCHEMBL9943288 0.92 MC5R (0.46) MC5RMC3RMC4RLMNASMN1; SMN2
SCHEMBL9943341 0.91 HTR1A (0.48) MC5RMC4RLMNASMN1; SMN2CDK4
Acetamide SCHEMBL9943944 0.90 HTR1A (0.45) MC5RMC3RMC4RLMNASMN1; SMN2
SCHEMBL9943282 0.89 MC5R (0.47) MC5RMC3RMC4RSMN1; SMN2CDK4
SCHEMBL9943349 0.89 MC5R (0.49) MC5RMC3RMC4RLMNASMN1; SMN2
SCHEMBL9943313 0.85 MC5R (0.48) MC5RMC3RMC4RLMNASMN1; SMN2
SCHEMBL9943285 0.84 SLC6A4 (0.44) LMNACDK4CCND1KDM4EALDH1A1
SCHEMBL2788385 0.84 CDK4 (0.44) MC5RMC3RMC4RCDK4CCND1

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 1 patent. 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