SCHEMBL7276196

SCHEMBL7276196

O=[C]c1ccccc1C(=O)N1CCOCC1

nearest known ligand 0.59

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.59
SMN1; SMN2 Q16637 2/20 0.59
ALDH1A1 P00352 4/20 0.57
TSHR P16473 2/20 0.57
HTT P42858 1/20 0.55
NPSR1 Q6W5P4 1/20 0.54
TP53 P04637 1/20 0.54
KMT2A Q03164 3/20 0.52
MEN1 O00255 2/20 0.50
PKM P14618 1/20 0.50
HPGD P15428 1/20 0.50
CNR1 P21554 1/20 0.50

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
SCHEMBL29482199 0.86 CNR1 (0.58) GAASMN1; SMN2ALDH1A1TSHRHTT
SCHEMBL7121916 0.84 SMN1; SMN2 (0.77) GAASMN1; SMN2ALDH1A1TSHRHTT
SCHEMBL7837591 0.81 RXFP1 (0.62) ALDH1A1TSHRHTTKMT2AMEN1
(2-Aminophenyl)(Morpholino)Methanone SCHEMBL30988542 0.80 GAA (0.62) GAASMN1; SMN2ALDH1A1TSHRHTT
(2-Aminophenyl)(Morpholino)Methanone SCHEMBL11446442 0.80 GAA (0.62) GAASMN1; SMN2ALDH1A1TSHRHTT
SCHEMBL554704 0.78 MGLL (0.67) GAASMN1; SMN2ALDH1A1TSHRHTT
SCHEMBL20267430 0.78 GAA (0.73) GAASMN1; SMN2ALDH1A1TSHRHTT
SCHEMBL11319556 0.77 SMN1; SMN2 (0.62) GAASMN1; SMN2ALDH1A1TSHRHTT
SCHEMBL8396438 0.77 GAA (0.62) GAASMN1; SMN2ALDH1A1TSHRHTT
SCHEMBL1663182 0.77 ALDH1A1 (0.67) GAASMN1; SMN2ALDH1A1TSHRNPSR1

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
EP-3541960-A2 METHODS AND DEVICES FOR DETECTING HEPATITIS C VIRUS Quest Diagnostics Investments LLC (US) 2019-09-25 EP disclosed
WO-2017122174-A1 DIFFERENTIAL SCANNING MICROCALORIMETER DEVICE FOR DETECTING DISEASE AND MONITORING THERAPEUTIC EFFICACY MONASELIDZE JAMLET (GE) 2017-07-20 WO disclosed
US-6265381-B1 MORPHOLINOUREA AND RELATED DERIVATIVES OF PENTAFLUOROETHYL PEPTIDES MERRELL PHARMACEUTICALS, INC. 2001-07-24 US disclosed
US-5714470-A PENTAFLUORO ALKYL TERMINATED PEPTIDE DERIVATIVES; TREATMENT OF INFLAMMATORY DISEASES, EMPHYSEMA AND CHRONIC BRONCHITIS MERRELL PHARMACEUTICALS, INC. (US) 1998-02-03 US disclosed
EP-0529568-B1 Novel orally-active elastase inhibitors MERRELL PHARMA INC (US) 1997-01-15 EP disclosed
US-5478811-A Antiinflammatory agents, enzyme inhibitors MERRELL DOW PHARMACEUTICALS INC. (US) 1995-12-26 US disclosed
EP-0529568-A1 Novel orally-active elastase inhibitors MERRELL PHARMACEUTICALS INC. (US) 1993-03-03 EP disclosed