SCHEMBL19861661

SCHEMBL19861661

CNCCCC(C)N(C(C)=O)C1CC1

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KISS1R Q969F8 1/20 0.42
PIK3CD O00329 1/20 0.31
PSEN1 P49768 1/20 0.30
PSEN2 P49810 1/20 0.30
APH1B Q8WW43 1/20 0.30
NCSTN Q92542 1/20 0.30
APH1A Q96BI3 1/20 0.30
PSENEN Q9NZ42 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
SCHEMBL2736124 0.79 ALDH1A1 (0.33) PIK3CD
SCHEMBL19861659 0.77 KISS1R (0.33) KISS1RPIK3CD
SCHEMBL2736120 0.76 CHRNB2 (0.39) PIK3CD
SCHEMBL2736122 0.75 PIK3CD (0.33) PIK3CD
SCHEMBL13780659 0.75 PIK3CD (0.33) PIK3CD
SCHEMBL18532019 0.74 PIK3CD (0.31) PIK3CD
SCHEMBL19861665 0.74 KISS1R (0.30) KISS1R
SCHEMBL18531982 0.73 PIK3CD (0.33) PIK3CD
SCHEMBL18531991 0.73 PIK3CD (0.33) PIK3CD
SCHEMBL18576496 0.73 PIK3CD (0.37) PIK3CD

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