SCHEMBL7495682

SCHEMBL7495682

c1ccc2c(c1)OCCNCCO2

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB2 P05107 1/20 0.65
ICAM1 P05362 1/20 0.65
ITGAL P20701 1/20 0.65
SMN1; SMN2 Q16637 3/20 0.56
LMNA P02545 2/20 0.56
CRHBP P24387 2/20 0.56
CRHR2 Q13324 2/20 0.56
HTT P42858 1/20 0.56
ABCG2 Q9UNQ0 1/20 0.50
ADRB1 P08588 2/20 0.48
KEAP1 Q14145 1/20 0.48
HTR2C P28335 3/20 0.42
HTR2A P28223 1/20 0.42
OXTR P30559 1/20 0.41
GAA P10253 2/20 0.41
NOTUM Q6P988 1/20 0.37
HTR2B P41595 1/20 0.37
ALDH1A1 P00352 1/20 0.36
MAPT P10636 1/20 0.36
HSD17B10 Q99714 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
SCHEMBL31050989 1.00 ITGB2 (0.65) ITGB2ICAM1ITGALSMN1; SMN2LMNA
SCHEMBL11701763 1.00 ITGB2 (0.65) ITGB2ICAM1ITGALSMN1; SMN2LMNA
SCHEMBL11396694 0.91 SMN1; SMN2 (0.74) ITGB2ICAM1ITGALSMN1; SMN2LMNA
SCHEMBL21907958 0.91 SMN1; SMN2 (0.67) ITGB2ICAM1ITGALSMN1; SMN2LMNA
Piperazine SCHEMBL3566816 0.90 ITGB2 (0.74) ITGB2ICAM1ITGALSMN1; SMN2LMNA
SCHEMBL31123014 0.86 SMN1; SMN2 (0.74) ITGB2ICAM1ITGALSMN1; SMN2LMNA
SCHEMBL15485033 0.83 ITGB2 (0.64) ITGB2ICAM1ITGALSMN1; SMN2LMNA
Piperidine SCHEMBL15864138 0.83 ITGB2 (0.64) ITGB2ICAM1ITGALSMN1; SMN2LMNA
SCHEMBL27348685 0.81 SMN1; SMN2 (0.48) ITGB2ICAM1ITGALSMN1; SMN2LMNA
SCHEMBL27504816 0.80 ITGB2 (0.67) ITGB2ICAM1ITGALSMN1; SMN2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-3112971-A None JP disclosed
EP-0417671-A3 3,4,5,6-TETRAHYDRO-2H-1,7,4-BENZODIOXAZONINES AS CARDIOVASCULAR AGENTS 1991-08-14 EP disclosed
JP-H03112971-A 3,4,5,6-TETRAHYDRO-2H-1,7,4-BENZODIOXAZONINE AS DRUG ACTING ON CARDIAC BLOOD VESSEL BERLEX LAB INC 1991-05-14 JP disclosed
EP-0417671-A2 3,4,5,6-Tetrahydro-2H-1,7,4-Benzodioxazonines as cardiovascular agents BERLEX LABORATORIES, INC. (US) 1991-03-20 EP disclosed
EP-0417671-A2 3,4,5,6-Tetrahydro-2H-1,7,4-Benzodioxazonines as cardiovascular agents BERLEX LABORATORIES, INC. (US) 1991-03-20 EP disclosed
EP-0417671-A2 3,4,5,6-Tetrahydro-2H-1,7,4-Benzodioxazonines as cardiovascular agents BERLEX LABORATORIES, INC. (US) 1991-03-20 EP disclosed
US-4966967-A 3,4,5,6-tetrahydro-2H-1,7,4-benzodioxazonines as cardiovascular agents BERLEX LABORATORIES, INC. (US) 1990-10-30 US disclosed
US-4966967-A 3,4,5,6-tetrahydro-2H-1,7,4-benzodioxazonines as cardiovascular agents BERLEX LABORATORIES, INC. (US) 1990-10-30 US disclosed
US-4966967-A 3,4,5,6-tetrahydro-2H-1,7,4-benzodioxazonines as cardiovascular agents BERLEX LABORATORIES, INC. (US) 1990-10-30 US disclosed