SCHEMBL7447634

SCHEMBL7447634

CC(C)N1CCN(S(=O)(=O)CCCCC2CCNCC2)CC1

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 11/20 0.36
ITGA2B P08514 11/20 0.36
HTR4 Q13639 1/20 0.36
F2R P25116 1/20 0.35
ALDH1A1 P00352 1/20 0.34
GNAO1 P09471 2/20 0.33
NMT1 P30419 3/20 0.33
GNAI3 P08754 1/20 0.33
GNAI1 P63096 1/20 0.33
SIGMAR1 Q99720 1/20 0.32
LMNA P02545 1/20 0.32
GAA P10253 1/20 0.32
ITGAV P06756 1/20 0.32
CHRM2 P08172 1/20 0.32
SLC6A4 P31645 1/20 0.32

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
SCHEMBL7448756 0.85 GNAO1 (0.38) ITGB3ITGA2BHTR4F2RALDH1A1
SCHEMBL7443444 0.84 ITGB3 (0.35) ITGB3ITGA2BF2RALDH1A1GNAO1
SCHEMBL7450677 0.84 ITGB3 (0.40) ITGB3ITGA2BHTR4F2RALDH1A1
SCHEMBL7446777 0.82 GNAO1 (0.40) ITGB3ITGA2BHTR4F2RALDH1A1
SCHEMBL7447186 0.81 GNAO1 (0.43) ITGB3ITGA2BHTR4F2RALDH1A1
SCHEMBL7455215 0.80 GNAO1 (0.47) ITGB3ITGA2BHTR4F2RGNAO1
SCHEMBL7446660 0.80 ITGB3 (0.36) ITGB3ITGA2BHTR4F2RALDH1A1
SCHEMBL5215519 0.79 HTR4 (0.33) HTR4LMNAGAA
SCHEMBL7454474 0.78 ALDH1A1 (0.37) ITGB3ITGA2BF2RALDH1A1GNAO1
SCHEMBL7446739 0.78 ITGB3 (0.40) ITGB3ITGA2BHTR4F2RALDH1A1

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