SCHEMBL7447186

SCHEMBL7447186

CCCC1CCN(S(=O)(=O)CCCCC2CCNCC2)CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GNAO1 P09471 2/20 0.43
GNAI3 P08754 1/20 0.42
GNAI1 P63096 1/20 0.42
ITGB3 P05106 13/20 0.42
ITGA2B P08514 13/20 0.42
ALDH1A1 P00352 3/20 0.42
F2R P25116 1/20 0.39
HTR4 Q13639 1/20 0.37
HDAC3 O15379 1/20 0.35
HDAC4 P56524 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC7 Q8WUI4 1/20 0.35
HDAC2 Q92769 1/20 0.35
HDAC10 Q969S8 1/20 0.35
HDAC11 Q96DB2 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
HDAC9 Q9UKV0 1/20 0.35
HDAC5 Q9UQL6 1/20 0.35
ITGAV P06756 1/20 0.35

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 0.86 ITGB3 (0.40) GNAO1GNAI3GNAI1ITGB3ITGA2B
SCHEMBL7455215 0.85 GNAO1 (0.47) GNAO1GNAI3GNAI1ITGB3ITGA2B
SCHEMBL7446777 0.84 GNAO1 (0.40) GNAO1GNAI3GNAI1ITGB3ITGA2B
SCHEMBL7448756 0.84 GNAO1 (0.38) GNAO1GNAI3GNAI1ITGB3ITGA2B
SCHEMBL7454474 0.83 ALDH1A1 (0.37) GNAO1GNAI3GNAI1ITGB3ITGA2B
SCHEMBL5216607 0.83 GNAO1 (0.36) GNAO1GNAI3GNAI1ITGB3ITGA2B
SCHEMBL7446660 0.82 ITGB3 (0.36) GNAO1GNAI3GNAI1ITGB3ITGA2B
SCHEMBL18637787 0.81 ALDH1A1 (0.41) GNAO1GNAI3GNAI1ITGB3ITGA2B
SCHEMBL7447634 0.81 ITGB3 (0.36) GNAO1GNAI3GNAI1ITGB3ITGA2B
SCHEMBL7447033 0.79 ITGB3 (0.36) GNAO1GNAI3GNAI1ITGB3ITGA2B

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