SCHEMBL156223

SCHEMBL156223

CCCC1(c2cccnc2)CCCN1C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
GAA P10253 1/20 0.36
CHRM2 P08172 1/20 0.35
CHRM4 P08173 1/20 0.35
CHRM5 P08912 1/20 0.35
CHRM1 P11229 1/20 0.35
CHRM3 P20309 1/20 0.35
ALDH1A1 P00352 3/20 0.35
LMNA P02545 2/20 0.35
CHRNB2 P17787 3/20 0.35
CHRNA4 P43681 3/20 0.35
EPHX2 P34913 2/20 0.35
CHRNA7 P36544 2/20 0.35
CHRNB4 P30926 2/20 0.35
CHRNA3 P32297 2/20 0.35
CHRNA2 Q15822 2/20 0.35
TDP1 Q9NUW8 1/20 0.35
HTR3E A5X5Y0 1/20 0.35
PSIP1 O75475 1/20 0.35

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
SCHEMBL159477 1.00 MEN1 (0.36) MEN1KMT2AGAACHRM2CHRM4
SCHEMBL5925778 0.92 TDP1 (0.37) MEN1KMT2AGAACHRM2CHRM4
SCHEMBL1538392 0.89 MEN1 (0.37) MEN1KMT2ACHRM2CHRM4CHRM5
SCHEMBL156155 0.89 MEN1 (0.37) MEN1KMT2ACHRM2CHRM4CHRM5
SCHEMBL968705 0.84 MEN1 (0.39) MEN1KMT2ACHRM2CHRM4CHRM5
SCHEMBL157125 0.84 MEN1 (0.39) MEN1KMT2ACHRM2CHRM4CHRM5
SCHEMBL157279 0.84 MEN1 (0.36) MEN1KMT2ACHRM2CHRM4CHRM5
SCHEMBL523968 0.84 MEN1 (0.36) MEN1KMT2ACHRM2CHRM4CHRM5
SCHEMBL2719213 0.84 CYP3A4 (0.39) MEN1KMT2AGAACHRM2CHRM4
SCHEMBL11307514 0.84 MEN1 (0.43) MEN1KMT2AALDH1A1LMNACHRNB2

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
WO-2020236798-A1 NANOEMULSION COMPOSITIONS COMPRISING BIOLOGICALLY ACTIVE INGREDIENTS Poviva Corp. (US) 2020-11-26 WO disclosed
EP-2611788-A2 NICOTINE COMPOUNDS AND ANALOGS THEREOF, SYNTHETIC METHODS OF MAKING COMPOUNDS, AND METHODS OF USE University of Florida Research Foundation, Incorporated (US) 2013-07-10 EP disclosed
WO-2012031220-A2 NICOTINE COMPOUNDS AND ANALOGS THEREOF, SYNTHETIC METHODS OF MAKING COMPOUNDS, AND METHODS OF USE UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 2012-03-08 WO disclosed