SCHEMBL8575677

SCHEMBL8575677

NC(=O)CCNC(=O)C1CCCc2[nH]c3ccccc3c21

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SIRT1 Q96EB6 2/20 0.46
SIRT2 Q8IXJ6 1/20 0.46
MEN1 O00255 1/20 0.41
ALOX15 P16050 1/20 0.41
TSHR P16473 1/20 0.41
KMT2A Q03164 1/20 0.41
MTNR1A P48039 3/20 0.40
MTNR1B P49286 1/20 0.40
CASP1 P29466 1/20 0.38
ACHE P22303 1/20 0.38
EGFR P00533 1/20 0.38
SRC P12931 1/20 0.38
SMYD3 Q9H7B4 1/20 0.37

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
SCHEMBL8574636 0.82 SIRT2 (0.42) SIRT1SIRT2MEN1KMT2ACASP1
SCHEMBL3258128 0.81 SIRT1 (0.63) SIRT1SIRT2CASP1
SCHEMBL8595169 0.77 SIRT1 (0.50) SIRT1SIRT2CASP1
Sulfuric Acid SCHEMBL8592514 0.76 SIRT1 (0.57) SIRT1SIRT2CASP1
SCHEMBL11848642 0.75 KDM4E (0.50) SIRT1SIRT2MEN1ALOX15TSHR
SCHEMBL901479 0.72 TSPO (0.55) SIRT1SIRT2ALOX15
SCHEMBL11835576 0.70 GABRA1 (0.44) SIRT1SIRT2TSHRCASP1
SCHEMBL11844570 0.70 SIRT2 (0.43) SIRT1SIRT2MEN1ALOX15KMT2A
SCHEMBL28912217 0.68 NR2E1 (0.50) SIRT1SIRT2
SCHEMBL14473893 0.68 BRD3 (0.58) SIRT1SIRT2TSHRCASP1ACHE

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
WO-1998018464-A1 SUBSTITUTED TRICYCLICS ELI LILLY AND COMPANY (US) 1998-05-07 WO disclosed