Sugi Predict

Sugi Predict / Compounds / SCHEMBL10120979

SCHEMBL10120979

SCHEMBL10120979

C=C1NC(CCCC)(CC2CCCCC2)C(=O)N1Cc1ccc(CN2C[C@H](CCC)NC2=O)cc1

nearest known ligand 0.62

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ BACE1 P56817 8/20 0.62
▸ LMNA P02545 1/20 0.35
▸ HTT P42858 1/20 0.35
▸ MEN1 O00255 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ GRM2 Q14416 1/20 0.31
▸ CTSD P07339 1/20 0.30
▸ CCR5 P51681 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
SCHEMBL10120746 0.92 BACE1 (0.65) BACE1LMNAHTTMEN1ALDH1A1
SCHEMBL7518108 0.90 BACE1 (0.62) BACE1LMNAHTTMEN1ALDH1A1
SCHEMBL8266561 0.88 BACE1 (0.60) BACE1LMNAHTTMEN1ALDH1A1
SCHEMBL7512580 0.85 BACE1 (0.65) BACE1LMNAHTTMEN1ALDH1A1
SCHEMBL7518412 0.85 BACE1 (0.65) BACE1LMNAHTTMEN1ALDH1A1
SCHEMBL13407706 0.84 BACE1 (0.61) BACE1LMNAHTTMEN1ALDH1A1
SCHEMBL7584937 0.83 BACE1 (0.60) BACE1LMNAHTTMEN1ALDH1A1
SCHEMBL17568893 0.81 BACE1 (0.54) BACE1LMNAHTTMEN1ALDH1A1
SCHEMBL17570159 0.80 BACE1 (0.55) BACE1LMNAHTT
SCHEMBL12410201 0.78 BACE1 (0.53) BACE1LMNAHTTMEN1ALDH1A1

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-8178513-B2 Heterocyclic aspartyl protease inhibitors SCHERING CORPORATION (US) 2012-05-15 — — US disclosed