SCHEMBL13656167

SCHEMBL13656167

CC(C)CN1CCC(N2CCCCC2)C1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.45
SIGMAR1 Q99720 5/20 0.41
PIK3CD O00329 1/20 0.40
CHRM5 P08912 2/20 0.38
CHRM1 P11229 2/20 0.38
CHRM2 P08172 1/20 0.38
CHRM4 P08173 1/20 0.38
CHRM3 P20309 1/20 0.38
HRH3 Q9Y5N1 2/20 0.37
ALDH1A1 P00352 1/20 0.36
TSHR P16473 1/20 0.36
RECQL P46063 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
MEN1 O00255 1/20 0.36
LMNA P02545 1/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL13656170 1.00 POLB (0.45) POLBSIGMAR1PIK3CDCHRM5CHRM1
SCHEMBL13656168 0.98 POLB (0.46) POLBSIGMAR1PIK3CDCHRM5CHRM1
SCHEMBL23023701 0.89 POLB (0.51) POLBSIGMAR1PIK3CDCHRM5CHRM1
SCHEMBL18021940 0.89 POLB (0.51) POLBSIGMAR1PIK3CDCHRM5CHRM1
SCHEMBL12726849 0.89 HRH3 (0.42) PIK3CDHRH3ALDH1A1TSHRRECQL
SCHEMBL21107438 0.87 POLB (0.46) POLBSIGMAR1PIK3CDCHRM5CHRM1
SCHEMBL21105875 0.87 POLB (0.46) POLBSIGMAR1PIK3CDCHRM5CHRM1
SCHEMBL22861852 0.87 POLB (0.46) POLBSIGMAR1PIK3CDCHRM5CHRM1
SCHEMBL13656174 0.86 MEN1 (0.41) PIK3CDHRH3ALDH1A1TSHRRECQL
SCHEMBL3422771 0.86 PIK3CD (0.44) POLBSIGMAR1PIK3CDCHRM5CHRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3715343-A1 DIPHENYLAMINOPYRIMIDINE COMPOUND FOR INHIBITING KINASE ACTIVITY Shenzhen TargetRx, Inc. (CN) 2020-09-30 EP disclosed
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