SCHEMBL7448756

SCHEMBL7448756

CN1CCN(S(=O)(=O)CCCCC2CCNCC2)CC1

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GNAO1 P09471 2/20 0.38
ITGB3 P05106 7/20 0.37
ITGA2B P08514 7/20 0.37
F2R P25116 1/20 0.37
ALDH1A1 P00352 1/20 0.36
NMT1 P30419 5/20 0.36
GNAI3 P08754 1/20 0.35
GNAI1 P63096 1/20 0.35
NAMPT P43490 1/20 0.34
HTR4 Q13639 1/20 0.33
IKBKB O14920 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
TPSAB1 Q15661 1/20 0.33
TPSD1 Q9BZJ3 1/20 0.33
TPSG1 Q9NRR2 1/20 0.33

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
SCHEMBL7450677 0.88 ITGB3 (0.40) GNAO1ITGB3ITGA2BF2RALDH1A1
SCHEMBL7455215 0.86 GNAO1 (0.47) GNAO1ITGB3ITGA2BF2RNMT1
SCHEMBL7446777 0.86 GNAO1 (0.40) GNAO1ITGB3ITGA2BF2RALDH1A1
SCHEMBL7447634 0.85 ITGB3 (0.36) GNAO1ITGB3ITGA2BF2RALDH1A1
SCHEMBL7447186 0.84 GNAO1 (0.43) GNAO1ITGB3ITGA2BF2RALDH1A1
SCHEMBL7446660 0.83 ITGB3 (0.36) GNAO1ITGB3ITGA2BF2RALDH1A1
SCHEMBL7443444 0.82 ITGB3 (0.35) GNAO1ITGB3ITGA2BF2RALDH1A1
SCHEMBL7454474 0.82 ALDH1A1 (0.37) GNAO1ITGB3ITGA2BF2RALDH1A1
SCHEMBL7446739 0.82 ITGB3 (0.40) ITGB3ITGA2BF2RALDH1A1HTR4
SCHEMBL5212276 0.77 IKBKB (0.32) GNAO1GNAI3GNAI1HTR4IKBKB

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
EP-1112270-A1 DIHYDROBENZODIOXINE CARBOXAMIDE AND KETONE DERIVATIVES AS 5-HT4 RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2001-07-04 EP claimed
WO-2000015636-A1 DIHYDROBENZODIOXINE CARBOXAMIDE AND KETONE DERIVATIVES AS 5-HT4 RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2000-03-23 WO claimed
EP-1112270-A1 DIHYDROBENZODIOXINE CARBOXAMIDE AND KETONE DERIVATIVES AS 5-HT4 RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2001-07-04 EP disclosed
WO-2000015636-A1 DIHYDROBENZODIOXINE CARBOXAMIDE AND KETONE DERIVATIVES AS 5-HT4 RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2000-03-23 WO disclosed