SCHEMBL6170103

SCHEMBL6170103

CNC(=O)C(C)c1ccc(C#N)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SAE1 Q9UBE0 1/20 0.44
UBA2 Q9UBT2 1/20 0.44
F2R P25116 1/20 0.43
PANK3 Q9H999 1/20 0.43
PSEN1 P49768 1/20 0.43
PSEN2 P49810 1/20 0.43
APH1B Q8WW43 1/20 0.43
NCSTN Q92542 1/20 0.43
APH1A Q96BI3 1/20 0.43
PSENEN Q9NZ42 1/20 0.43
MMP2 P08253 2/20 0.42
MMP3 P08254 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
ADAM17 P78536 1/20 0.42
HTT P42858 2/20 0.41
MAPT P10636 2/20 0.41
TSHR P16473 2/20 0.41
LMNA P02545 1/20 0.41
NLRP3 Q96P20 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
SCHEMBL27514070 0.81 GSK3B (0.46) F2RPANK3MMP2MMP3MEN1
SCHEMBL3733446 0.81 SAE1 (0.42) SAE1UBA2F2RPANK3MMP2
SCHEMBL19002300 0.79 GSK3B (0.44) F2RMEN1KMT2AHTTMAPT
SCHEMBL8223856 0.79 PTGS2 (0.55) F2RMMP2MMP3MAPTTSHR
SCHEMBL2575820 0.79 PTGS2 (0.55) F2RMMP2MMP3MAPTTSHR
SCHEMBL8224397 0.79 HTT (0.48) F2RMMP2MMP3MEN1KMT2A
SCHEMBL2412665 0.78 MAPT (0.43) F2RPANK3MEN1KMT2AHTT
Hydrochloric Acid SCHEMBL6781604 0.78 PTGS2 (0.53) F2RMMP2MMP3MAPTTSHR
SCHEMBL2581970 0.78 CTSL (0.43) F2RMMP2MMP3MEN1KMT2A
SCHEMBL23453428 0.77 MAPT (0.57) MEN1KMT2AMAPTTSHRFFAR2

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-1556361-A2 2-ALKYL-(2-AMINO-3-ARYL-PROPIONYL)-PIPERAZINE DERIVATIVES AND RELATED COMPOUNDS AS MELANOCORTIN RECEPTOR LIGANDS FOR THE TREATMENT OF OBESITY THE PROCTER & GAMBLE COMPANY (US) 2005-07-27 EP claimed
WO-2004037797-A2 2 - ALKYL - (2 - AMINO - 3 - ARYL - PROPIONYL) - PIPERAZINE DERIVATIVES AND RELATED COMPOUNDS AS MELANOCORTIN RECEPTOR LIGANDS FOR THE TREATMENT OF OBESITY THE PROCTER & GAMBLE COMPANY (US) 2004-05-06 WO claimed