Sugi Predict

Sugi Predict / Compounds / Valine

Valine

Valine

SCHEMBL8961949

CC(C)[C@H](N)C(=O)O.Clc1cc(N2CCCC2)nc(N2CCCC2)n1

nearest known ligand 0.44

Full drug profile on Sugi Atlas →

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ GBA1 P04062 11/20 0.44
▸ HRH4 Q9H3N8 1/20 0.42
▸ CASP1 P29466 3/20 0.41
▸ CASP5 P51878 3/20 0.41
▸ CASP4 P49662 2/20 0.41
▸ ALDH1A1 P00352 1/20 0.39
▸ APAF1 O14727 1/20 0.39
▸ GAA P10253 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ PPP1CA P62136 1/20 0.39
▸ SENP8 Q96LD8 1/20 0.39
▸ SENP7 Q9BQF6 1/20 0.39
▸ SENP6 Q9GZR1 1/20 0.39
▸ LMNA P02545 1/20 0.39

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
SCHEMBL2772556 0.79 CASP1 (0.61) GBA1HRH4CASP1CASP5CASP4
SCHEMBL2773410 0.76 CASP1 (0.56) GBA1HRH4CASP1CASP5CASP4
Aethimidinum SCHEMBL29352989 0.72 CASP1 (0.50) GBA1HRH4CASP1CASP5CASP4
SCHEMBL9755225 0.72 GBA1 (0.52) GBA1HRH4CASP1CASP5CASP4
SCHEMBL24851307 0.72 CASP1 (0.49) GBA1HRH4CASP1CASP5CASP4
SCHEMBL9159902 0.71 CASP1 (0.81) HRH4CASP1CASP5CASP4ALDH1A1
SCHEMBL18153359 0.71 GBA1 (0.51) GBA1
SCHEMBL24851765 0.71 GBA1 (0.51) GBA1
SCHEMBL30162196 0.70 GBA1 (0.50) GBA1
SCHEMBL24851167 0.70 GBA1 (0.50) GBA1

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-5502187-A Pharmaceutically active bicyclic-heterocyclic amines THE UPJOHN COMPANY (US) 1996-03-26 — — US disclosed