SCHEMBL6170106

SCHEMBL6170106

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

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.54
CHRNB2 P17787 1/20 0.50
CHRNB4 P30926 1/20 0.50
CHRNA3 P32297 1/20 0.50
CHRNA4 P43681 1/20 0.50
PGR P06401 5/20 0.48
RORC P51449 1/20 0.48
ITK Q08881 1/20 0.45
HCRTR2 O43614 1/20 0.43
CYP2A6 P11509 1/20 0.42
RAB9A P51151 1/20 0.41
MLYCD O95822 1/20 0.41
GSK3B P49841 1/20 0.41
CA1 P00915 2/20 0.40
CA2 P00918 2/20 0.40
NSD2 O96028 1/20 0.40
PDK2 Q15119 1/20 0.40
ALDH1A1 P00352 1/20 0.39
MAPT P10636 1/20 0.39

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
SCHEMBL21765854 0.84 KMT2A (0.43) KMT2ARAB9AMLYCDALDH1A1MAPT
SCHEMBL22312043 0.84 KMT2A (0.52) KMT2ACHRNB2CHRNB4CHRNA3CHRNA4
Hydrochloric Acid SCHEMBL29472307 0.83 KMT2A (0.51) KMT2ACHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL21776422 0.80 KMT2A (0.46) KMT2ARORCITKGSK3BALDH1A1
SCHEMBL7873808 0.79 PGR (0.61) KMT2ACHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL22289643 0.79 KMT2A (0.54) KMT2ACHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL5317092 0.78 CHRNB2 (0.49) KMT2ACHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL9956677 0.78 PGR (0.49) KMT2ACHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL1114974 0.78 PGR (0.54) KMT2ACHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL1821084 0.78 KMT2A (0.60) KMT2ACHRNB2CHRNB4CHRNA3CHRNA4

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