SCHEMBL5808342

SCHEMBL5808342

NC(=O)C(c1ccccc1)(c1ccccc1)C1CCCNC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 1/20 0.43
NFE2L2 Q16236 1/20 0.43
KMT2A Q03164 4/20 0.42
CYP2D6 P10635 3/20 0.41
LMNA P02545 2/20 0.41
MEN1 O00255 1/20 0.41
HRH1 P35367 1/20 0.41
SCN1A P35498 1/20 0.41
SCN2A Q99250 1/20 0.41
SCN3A Q9NY46 1/20 0.41
KDM4E B2RXH2 2/20 0.40
MAPT P10636 2/20 0.40
ATM Q13315 1/20 0.40
CHRM2 P08172 2/20 0.39
CHRM1 P11229 2/20 0.39
CHRM3 P20309 2/20 0.39
ADRB2 P07550 1/20 0.39
CHRM4 P08173 1/20 0.39
ADRB1 P08588 1/20 0.39
CHRM5 P08912 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
SCHEMBL8424910 1.00 KEAP1 (0.43) KEAP1NFE2L2KMT2ACYP2D6LMNA
SCHEMBL10360114 0.96 KEAP1 (0.45) KEAP1NFE2L2KMT2ACYP2D6LMNA
SCHEMBL4396455 0.91 KMT2A (0.50) KEAP1NFE2L2KMT2ACYP2D6LMNA
SCHEMBL958241 0.91 KMT2A (0.50) KEAP1NFE2L2KMT2ACYP2D6LMNA
SCHEMBL953947 0.91 KMT2A (0.50) KEAP1NFE2L2KMT2ACYP2D6LMNA
Bromide SCHEMBL4505510 0.90 KMT2A (0.49) KEAP1NFE2L2KMT2ACYP2D6LMNA
Bromide SCHEMBL4505514 0.90 KMT2A (0.49) KEAP1NFE2L2KMT2ACYP2D6LMNA
Hydrochloric Acid SCHEMBL10869034 0.90 KMT2A (0.49) KEAP1NFE2L2KMT2ACYP2D6LMNA
SCHEMBL10361030 0.88 CYP2D6 (0.51) KEAP1NFE2L2KMT2ACYP2D6LMNA
SCHEMBL13500109 0.88 KEAP1 (0.49) KEAP1NFE2L2KMT2ACYP2D6LMNA

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 17 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0178947-B1 1-[(Aminoalkyl and aminoalkylamino)carbonyl and thiocarbonyl]-alpha,alpha-diarylpyrrolidine, piperidine and homopiperidineacetamides and acetonitriles A.H. ROBINS COMPANY, INCORPORATED (US) 1990-09-26 EP claimed
EP-0178946-A2 1-(Aminoalkyl)-alpha, alpha-diaryl pyrrolidine-piperidine- and homopiperidine- acetamides and acetonitriles A.H. ROBINS COMPANY, INCORPORATED (US) 1986-04-23 EP claimed
EP-0178947-A2 1-[(Aminoalkyl and aminoalkylamino)carbonyl and thiocarbonyl]-alpha,alpha-diarylpyrrolidine, piperidine and homopiperidineacetamides and acetonitriles A.H. ROBINS COMPANY, INCORPORATED (US) 1986-04-23 EP claimed
WO-2006097848-A1 HIV-1 VIRION MATURATION INHIBITORS, COMPOSITIONS AND TREATMENTS USING THE SAME PFIZER INC. (US) 2006-09-21 WO disclosed
US-5932594-A Muscarinic receptor antagonists PFIZER, INC. (US) 1999-08-03 US disclosed
EP-0441852-B1 MUSCARINIC RECEPTOR ANTAGONISTS PFIZER LTD (GB) 1997-05-14 EP disclosed
US-5422358-A Muscarinic receptor antagonists PFIZER INC (US) 1995-06-06 US disclosed
EP-0441852-A1 MUSCARINIC RECEPTOR ANTAGONISTS. PFIZER LTD (GB) 1991-08-21 EP disclosed
EP-0178947-B1 1-[(Aminoalkyl and aminoalkylamino)carbonyl and thiocarbonyl]-alpha,alpha-diarylpyrrolidine, piperidine and homopiperidineacetamides and acetonitriles A.H. ROBINS COMPANY, INCORPORATED (US) 1990-09-26 EP disclosed
EP-0376358-A1 Muscarinic receptor antagonists PFIZER INC. (US) 1990-07-04 EP disclosed
WO-1990005133-A1 MUSCARINIC RECEPTOR ANTAGONISTS PFIZER LIMITED (GB) 1990-05-17 WO disclosed
US-4812452-A ANTIARRHYTHMIA AGENTS A. H. ROBINS COMPANY, INCORPORATED (US) 1989-03-14 US disclosed
US-4812451-A ANTIARRHYTHMIA AGENTS A. H. ROBINS COMPANY, INCORPORATED (US) 1989-03-14 US disclosed
US-4810703-A ANTIARRHYTHMIA A. H. ROBINS COMPANY, INCORPORATED (US) 1989-03-07 US disclosed
US-4594343-A FOR DEEP FAT FRYING VAT OIL; REMOVING CONTAMINANTS; RESTAURANTS A.H. ROBINS COMPANY, INCORPORATED, A DE CORP. 1986-06-10 US disclosed
EP-0178947-A2 1-[(Aminoalkyl and aminoalkylamino)carbonyl and thiocarbonyl]-alpha,alpha-diarylpyrrolidine, piperidine and homopiperidineacetamides and acetonitriles A.H. ROBINS COMPANY, INCORPORATED (US) 1986-04-23 EP disclosed
EP-0178946-A2 1-(Aminoalkyl)-alpha, alpha-diaryl pyrrolidine-piperidine- and homopiperidine- acetamides and acetonitriles A.H. ROBINS COMPANY, INCORPORATED (US) 1986-04-23 EP disclosed