SCHEMBL19861703

SCHEMBL19861703

CC(=O)NC(C)C(CCN(C)C)C1CC1

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 1/20 0.35
GAA P10253 1/20 0.31
UTS2R Q9UKP6 1/20 0.30
CHRNB2 P17787 1/20 0.30
CHRNB4 P30926 1/20 0.30
CHRNA3 P32297 1/20 0.30
CHRNA4 P43681 1/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
ALDH1A1 P00352 2/20 0.30
KDM4E B2RXH2 1/20 0.30
PKM P14618 1/20 0.30
HSD17B10 Q99714 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
SCHEMBL19861705 0.86 CYP2D6 (0.37) TRPV1
SCHEMBL2736126 0.77 ALDH1A1 (0.33) TRPV1CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL19861605 0.75 TRPV1 (0.41) TRPV1UTS2RSMN1; SMN2ALDH1A1KDM4E
SCHEMBL18531984 0.75 ALDH1A1 (0.31) TRPV1KMT2AALDH1A1
SCHEMBL2736129 0.74 ALDH1A1 (0.30) ALDH1A1
SCHEMBL19861658 0.71 TRPV1 (0.38) TRPV1ALDH1A1
SCHEMBL13780653 0.71 ACACB (0.37) TRPV1ALDH1A1
SCHEMBL18531986 0.70
SCHEMBL10202726 0.66 ALOX5 (0.31) ALDH1A1
SCHEMBL12506705 0.65 PAOX (0.38) TRPV1UTS2RALDH1A1

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-9891239-B2 Modulators of pharmacokinetic properties of therapeutics GILEAD SCIENCES, INC. (US) 2018-02-13 US disclosed