SCHEMBL1383790

SCHEMBL1383790

COc1cccc(C=CC(N)=O)c1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 5/20 0.66
FOS P01100 1/20 0.66
JUN P05412 1/20 0.66
BCHE P06276 1/20 0.66
CYP1A2 P05177 4/20 0.61
CYP2D6 P10635 4/20 0.61
CYP1A1 P04798 3/20 0.61
CYP1B1 Q16678 3/20 0.61
ABCG2 Q9UNQ0 3/20 0.61
MAOA P21397 2/20 0.61
NR1H4 Q96RI1 3/20 0.59
RELA Q04206 2/20 0.59
NPC1 O15118 1/20 0.59
LMNA P02545 1/20 0.59
MAPT P10636 1/20 0.59
HPGD P15428 1/20 0.59
NFKB1 P19838 1/20 0.59
RAB9A P51151 1/20 0.59
NFKB2 Q00653 1/20 0.59
SMN1; SMN2 Q16637 1/20 0.59

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
SCHEMBL7934305 1.00 MAOB (0.66) MAOBFOSJUNBCHECYP1A2
SCHEMBL27497698 1.00 MAOB (0.66) MAOBFOSJUNBCHECYP1A2
SCHEMBL29244511 1.00 MAOB (0.66) MAOBFOSJUNBCHECYP1A2
SCHEMBL16410054 0.89 MAOB (0.57) MAOBFOSJUNBCHECYP1A2
SCHEMBL3580365 0.86 FOS (0.79) MAOBFOSJUNBCHECYP1A2
SCHEMBL3580362 0.86 FOS (0.79) MAOBFOSJUNBCHECYP1A2
SCHEMBL29822711 0.86 FOS (0.79) MAOBFOSJUNBCHECYP1A2
SCHEMBL80786 0.85 FOS (0.72) MAOBFOSJUNBCHECYP1A2
SCHEMBL2632249 0.85 MAOB (0.68) MAOBFOSJUNBCHECYP1A2
SCHEMBL80787 0.85 FOS (0.72) MAOBFOSJUNBCHECYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105777712-B Tetrahydroisoquinoliderivs derivs and its application 沈阳药科大学 2018-05-22 CN claimed
CN-105777712-A Tetrahydroisoquinoline derivative and application thereof 沈阳药科大学 2016-07-20 CN claimed
JP-4828407-B2 2011-11-30 JP claimed
EP-1594869-A2 3-SUBSTITUTED-2(ARYLALKYL)-1-AZABICYCLOALKANES AND METHODS OF USE THEREOF Targacept, Inc. (US) 2005-11-16 EP claimed
WO-2004076449-A2 3-SUBSTITUTED-2(ARYLALKYL)-1-AZABICYCLOALKANES AND METHODS OF USE THEREOF TARGACEPT, INC. (US) 2004-09-10 WO claimed
CN-116768792-B Cinnamamide-hydroxypyridone derivative, and preparation method and application thereof 浙江工业大学 2024-10-18 CN disclosed
CN-113462278-B Varnish composition, method for producing polyimide resin, and additive 东京应化工业株式会社 2024-06-07 CN disclosed
CN-116768792-A Cinnamamide-hydroxypyridone derivative, and preparation method and application thereof 浙江工业大学 2023-09-19 CN disclosed
CN-110256274-B Method for preparing N-methyl-N-phenyl-2, 3-dibromo-3-substituted phenylpropionamide compound 安徽理工大学 2022-02-15 CN disclosed
CN-105777712-B Tetrahydroisoquinoliderivs derivs and its application 沈阳药科大学 2018-05-22 CN disclosed
CN-105777712-A Tetrahydroisoquinoline derivative and application thereof 沈阳药科大学 2016-07-20 CN disclosed
EP-2968308-A1 METHODS OF TREATING B2-BRADYKININ RECEPTOR MEDIATED ANGIOEDEMA Shire Human Genetic Therapies, Inc. (US) 2016-01-20 EP disclosed
WO-2014159637-A1 METHODS OF TREATING B2-BRADYKININ RECEPTOR MEDIATED ANGIOEDEMA SHIRE HUMAN GENETIC THERAPIES, INC. (US) 2014-10-02 WO disclosed
EP-1725240-A4 MUSCARINIC ACETYLCHOLINE RECEPTOR ANTAGONISTS GLAXO GROUP LTD (GB) 2009-03-25 EP disclosed
EP-1725240-A1 MUSCARINIC ACETYLCHOLINE RECEPTOR ANTAGONISTS GLAXO GROUP LIMITED (GB) 2006-11-29 EP disclosed
EP-1594869-A2 3-SUBSTITUTED-2(ARYLALKYL)-1-AZABICYCLOALKANES AND METHODS OF USE THEREOF Targacept, Inc. (US) 2005-11-16 EP disclosed
WO-2005094834-A1 MUSCARINIC ACETYLCHOLINE RECEPTOR ANTAGONISTS GLAXO GROUP LIMITED (GB) 2005-10-13 WO disclosed
WO-2004076449-A2 3-SUBSTITUTED-2(ARYLALKYL)-1-AZABICYCLOALKANES AND METHODS OF USE THEREOF TARGACEPT, INC. (US) 2004-09-10 WO disclosed