SCHEMBL6982093

SCHEMBL6982093

CC1(C)CC(=O)NC1Cc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 2/20 0.44
DDB1 Q16531 2/20 0.44
CRBN Q96SW2 2/20 0.44
MEN1 O00255 1/20 0.39
ALDH1A1 P00352 1/20 0.39
GAA P10253 1/20 0.39
RECQL P46063 1/20 0.39
KMT2A Q03164 1/20 0.39
CA2 P00918 1/20 0.37
MAOB P27338 1/20 0.37
PLA2G10 O15496 1/20 0.37
PLA2G5 P39877 1/20 0.37
LMNA P02545 1/20 0.36
POLB P06746 1/20 0.36
GBA1 P04062 1/20 0.36

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
SCHEMBL27404517 0.84 CREBBP (0.39) HDAC8MEN1ALDH1A1KMT2A
SCHEMBL6977385 0.80 MAOB (0.37) DDB1CRBNMAOBGBA1
SCHEMBL20942450 0.75 GBA1 (0.42) HDAC8DDB1CRBNMEN1ALDH1A1
Hydrochloric Acid SCHEMBL22653271 0.74 GBA1 (0.41) HDAC8DDB1CRBNMEN1ALDH1A1
SCHEMBL23725928 0.71 IRAK4 (0.35) LMNA
SCHEMBL5216975 0.71 IRAK4 (0.35) LMNA
SCHEMBL17070917 0.70 ALDH1A1 (0.57) MEN1ALDH1A1GAARECQLKMT2A
SCHEMBL9852828 0.70 CA2 (0.42) ALDH1A1CA2GBA1
SCHEMBL2369273 0.70 LMNA (0.42) HDAC8DDB1CRBNCA2MAOB
SCHEMBL531694 0.70 LMNA (0.42) HDAC8DDB1CRBNCA2MAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2019243850-A1 OXADIAZOLES AS AGONISTS OF THE MUSCARINIC M1 AND/OR M4 RECEPTOR HEPTARES THERAPEUTICS LIMITED (GB) 2019-12-26 WO disclosed
EP-0821674-B1 CYCLIC AMIDINO AGENTS USEFUL AS NITRIC OXIDE SYNTHASE INHIBITORS SEARLE & CO (US) 2003-08-06 EP disclosed
US-6043261-A TREATMENT OF INFLAMMATORY CONDITIONS AFFECTING THE JOINTS, FOR EXAMPLE ARTHRITIS, INFLAMMATORY BOWEL DISEASE, CARDIOVASCULAR ISCHEMIA, DIABETES, HYPERALGESIA, CEREBRAL ISCHEMIA, THROMBOTIC STROKE, GLOBAL ISCHEMIA, NERVOUS SYSTEM DISORDERS G. D. SEARLE & CO. (US) 2000-03-28 US disclosed
US-6011028-A Cyclic amidino agents useful as nitric oxide synthase inhibitors G.D. SEARLE & CO. (US) 2000-01-04 US disclosed
US-5883251-A ENZYME INHIBITORS G. D. SEARLE & CO. (US) 1999-03-16 US disclosed
EP-0821674-A1 CYCLIC AMIDINO AGENTS USEFUL AS NITRIC OXIDE SYNTHASE INHIBITORS G.D. SEARLE & CO. (US) 1998-02-04 EP disclosed
WO-1996033175-A1 CYCLIC AMIDINO AGENTS USEFUL AS NITRIC OXIDE SYNTHASE INHIBITORS G.D. SEARLE & CO. (US) 1996-10-24 WO disclosed