SCHEMBL17339702

SCHEMBL17339702

CCC(C)C(N)C(C)CCCN

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.32
SPHK1 Q9NYA1 1/20 0.31
TRPV1 Q8NER1 1/20 0.31
TRPA1 O75762 1/20 0.31
DNM1 Q05193 4/20 0.31
ALDH1A1 P00352 2/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
TSHR P16473 1/20 0.31
EPHX1 P07099 1/20 0.31
CYP3A4 P08684 1/20 0.31
TDP1 Q9NUW8 1/20 0.30

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
SCHEMBL21337184 0.82 DNM1 (0.35) OPRM1DNM1ALDH1A1MEN1KMT2A
SCHEMBL7149510 0.82 OPRM1 (0.30) OPRM1
SCHEMBL20357565 0.80
SCHEMBL23027392 0.80 DNM1 (0.33) DNM1ALDH1A1MEN1KMT2ATSHR
SCHEMBL19926761 0.79 ALDH1A1 (0.33) OPRM1SPHK1TRPV1TRPA1ALDH1A1
SCHEMBL21111477 0.79 ALDH1A1 (0.33) OPRM1SPHK1TRPV1TRPA1ALDH1A1
SCHEMBL2066948 0.79 ALDH1A1 (0.35) OPRM1ALDH1A1TSHR
SCHEMBL13128007 0.78 DNM1 (0.32) DNM1ALDH1A1MEN1KMT2ATSHR
SCHEMBL9187102 0.78 OPRM1 (0.33) OPRM1SPHK1TRPV1TRPA1DNM1
SCHEMBL21118226 0.77 METAP1 (0.43) OPRM1SPHK1ALDH1A1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9211250-B2 Heterogeneous polymeric micelles for intracellular delivery UNIVERSITY OF WASHINGTON (US) 2015-12-15 US disclosed