SCHEMBL8548949

SCHEMBL8548949

CCCCC1CC(C)CC(=O)N1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
CRBN Q96SW2 1/20 0.38
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
MAPT P10636 2/20 0.37
KDM4E B2RXH2 1/20 0.37
PKM P14618 1/20 0.37
HPGD P15428 1/20 0.37
GLB1 P16278 1/20 0.34
PRKCA P17252 2/20 0.34
HTT P42858 2/20 0.34
LMNA P02545 1/20 0.34
BRD4 O60885 1/20 0.33
CREBBP Q92793 1/20 0.33
ITGB3 P05106 1/20 0.32
ITGB2 P05107 1/20 0.32
ITGB1 P05556 1/20 0.32
ITGAV P06756 1/20 0.32
ITGA2B P08514 1/20 0.32

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
SCHEMBL9115135 0.79 ALDH1A1 (0.34) ALDH1A1L3MBTL1MEN1KMT2AMAPT
SCHEMBL289406 0.76 CRBN (0.41) ALDH1A1CRBNPRKCAHTTLMNA
SCHEMBL4461377 0.75 ALDH1A1 (0.69) ALDH1A1L3MBTL1MEN1KMT2AMAPT
SCHEMBL28660448 0.73 ALDH1A1 (0.72) ALDH1A1L3MBTL1MEN1KMT2AHTT
SCHEMBL28660449 0.73 ALDH1A1 (0.72) ALDH1A1L3MBTL1MEN1KMT2AHTT
SCHEMBL6439316 0.72 ALDH1A1 (0.44) ALDH1A1L3MBTL1CRBNMEN1KMT2A
Hydrochloric Acid SCHEMBL7283914 0.72 ALDH1A1 (0.70) ALDH1A1L3MBTL1MEN1KMT2AHTT
SCHEMBL7119012 0.69 ALDH1A1 (0.41) ALDH1A1L3MBTL1MEN1KMT2AMAPT
SCHEMBL7944928 0.68 ALDH1A1 (0.38) ALDH1A1L3MBTL1MEN1KMT2AMAPT
SCHEMBL7622428 0.68 MEN1 (0.34) ALDH1A1L3MBTL1MEN1KMT2AMAPT

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0824523-A1 NITRIC OXIDE SYNTHASE INHIBITORS DERIVED FROM CYCLIC AMIDINES G.D. Searle & Co. (US) 1998-02-25 EP disclosed
WO-1996035677-A1 NITRIC OXIDE SYNTHASE INHIBITORS DERIVED FROM CYCLIC AMIDINES G.D. SEARLE & CO. (US) 1996-11-14 WO disclosed