SCHEMBL13656168

SCHEMBL13656168

CC(C)CN1CCC(N2CCCC2)C1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.46
PIK3CD O00329 1/20 0.41
SIGMAR1 Q99720 6/20 0.39
MEN1 O00255 1/20 0.36
LMNA P02545 1/20 0.36
KMT2A Q03164 1/20 0.36
CHRM5 P08912 2/20 0.36
CHRM1 P11229 2/20 0.36
CHRM2 P08172 1/20 0.36
CHRM4 P08173 1/20 0.36
CHRM3 P20309 1/20 0.36
HRH3 Q9Y5N1 1/20 0.35
L3MBTL1 Q9Y468 2/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
TSHR P16473 1/20 0.34
RECQL P46063 1/20 0.34
HTT P42858 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.33
L3MBTL3 Q96JM7 1/20 0.33

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
SCHEMBL13656167 0.98 POLB (0.45) POLBPIK3CDSIGMAR1MEN1LMNA
SCHEMBL13656170 0.98 POLB (0.45) POLBPIK3CDSIGMAR1MEN1LMNA
SCHEMBL23023701 0.91 POLB (0.51) POLBPIK3CDSIGMAR1CHRM5CHRM1
SCHEMBL18021940 0.91 POLB (0.51) POLBPIK3CDSIGMAR1CHRM5CHRM1
SCHEMBL21105875 0.89 POLB (0.46) POLBPIK3CDSIGMAR1MEN1LMNA
SCHEMBL22861852 0.89 POLB (0.46) POLBPIK3CDSIGMAR1MEN1LMNA
SCHEMBL21107438 0.89 POLB (0.46) POLBPIK3CDSIGMAR1MEN1LMNA
SCHEMBL13656174 0.88 MEN1 (0.41) PIK3CDMEN1LMNAKMT2AHRH3
SCHEMBL13683385 0.87 POLB (0.54) POLBPIK3CDSIGMAR1MEN1KMT2A
SCHEMBL12726849 0.86 HRH3 (0.42) PIK3CDMEN1LMNAKMT2AHRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7605176-B2 β-ketoamide compounds with MCH antagonistic activity BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-10-20 US disclosed
US-7592373-B2 Amide compounds with MCH antagonistic activity and medicaments comprising these compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-09-22 US disclosed
US-7452911-B2 Alkyne compounds with MCH antagonistic activity and medicaments comprising these compounds BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2008-11-18 US disclosed
US-7351719-B2 Amide compounds having MCH-antagonistic activity and medicaments comprising these compounds BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2008-04-01 US disclosed