SCHEMBL7236157

SCHEMBL7236157

O=CN1CCOc2ccccc2C1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB2 P05107 1/20 0.40
ICAM1 P05362 1/20 0.40
ITGAL P20701 1/20 0.40
NOTUM Q6P988 1/20 0.39
APP P05067 1/20 0.39
RIPK1 Q13546 1/20 0.39
AHR P35869 1/20 0.38
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
LMNA P02545 2/20 0.36
CRHBP P24387 2/20 0.36
CRHR2 Q13324 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
HTT P42858 1/20 0.36
PDE4D Q08499 1/20 0.36
GBA1 P04062 1/20 0.36
OXTR P30559 1/20 0.35
PDK1 Q15118 1/20 0.35
PRMT5 O14744 2/20 0.34
WDR77 Q9BQA1 2/20 0.34

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
SCHEMBL29501131 0.74 ITGB2 (0.43) ITGB2ICAM1ITGALNOTUMAPP
SCHEMBL29388834 0.74 MAOA (0.53) ITGB2ICAM1ITGALNOTUMAPP
SCHEMBL17937443 0.74 ITGB2 (0.43) ITGB2ICAM1ITGALNOTUMAPP
SCHEMBL22674557 0.74 ITGB2 (0.43) ITGB2ICAM1ITGALNOTUMAPP
SCHEMBL10455557 0.74 MAOA (0.53) ITGB2ICAM1ITGALNOTUMAPP
SCHEMBL17960126 0.73 HDAC6 (0.41) SMN1; SMN2KMT2A
SCHEMBL17957763 0.72 RIPK1 (0.54) NOTUMAPPRIPK1AHRKDM4E
SCHEMBL29501124 0.72 RIPK1 (0.54) NOTUMAPPRIPK1AHRKDM4E
SCHEMBL6436564 0.72 RIPK1 (0.40) ITGB2ICAM1ITGALNOTUMAPP
SCHEMBL17960239 0.72 CYP2C9 (0.44) RIPK1KDM4EALDH1A1LMNASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6534496-B1 Prophylactic and/or therapeutic drug for obesity and obesity associated diseasestor diabetes with a reduced risk for central side effects and high universality in usage. Another object of the a lipolytic agent, or a prophylactic and/or TAKEDA CHEMICAL INDUSTRIES, INC. (JP) 2003-03-18 US disclosed
US-6319916-B1 CHOLINESTERASE INHIBITOR FOR SENILE DEMENTIA AND ALZHEIMER'S TREATMENT TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2001-11-20 US disclosed
EP-0567090-B1 Benzoxazepine derivatives as cholinesterase inhibitors TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2000-07-26 EP disclosed
EP-0567090-A2 Benzoxazepine derivatives as cholinesterase inhibitors TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1993-10-27 EP disclosed