SCHEMBL5219353

SCHEMBL5219353

CC1CCN(CCCS(=O)(=O)N2CCC3(CCCC3)CC2)CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR4 Q13639 2/20 0.46
HTR7 P34969 3/20 0.43
RAB9A P51151 1/20 0.39
CARM1 Q86X55 1/20 0.35
PRMT6 Q96LA8 1/20 0.35
PRMT1 Q99873 1/20 0.35
PRMT8 Q9NR22 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.34
SIGMAR1 Q99720 3/20 0.34
KDM4E B2RXH2 2/20 0.34
POLB P06746 2/20 0.34
ALDH1A1 P00352 1/20 0.34
ALOX15 P16050 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA9 Q16790 1/20 0.34
SMYD3 Q9H7B4 1/20 0.34
HTT P42858 1/20 0.33
MEN1 O00255 1/20 0.33
CHRM2 P08172 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
SCHEMBL5219341 0.86 HTR4 (0.46) HTR4HTR7SMN1; SMN2ALOX15SMYD3
SCHEMBL5212995 0.78 HTR4 (0.45) HTR4HTR7RAB9ACARM1PRMT6
SCHEMBL14375265 0.78 HTR4 (0.45) HTR4RAB9ACARM1PRMT6PRMT1
SCHEMBL5213629 0.76 HTR4 (0.47) HTR4HTR7CARM1PRMT6PRMT1
SCHEMBL5215065 0.75 HTR4 (0.49) HTR4HTR7RAB9ASMN1; SMN2KDM4E
SCHEMBL5244387 0.73 HTR4 (0.46) HTR4RAB9ASMN1; SMN2ALOX15SMYD3
SCHEMBL13993559 0.72 ALOX15 (0.49) RAB9ACARM1PRMT6PRMT1PRMT8
SCHEMBL17285915 0.72 CARM1 (0.46) HTR7CARM1PRMT6PRMT1PRMT8
SCHEMBL24517948 0.71 POLB (0.45) HTR7CARM1PRMT6PRMT1PRMT8
SCHEMBL27431610 0.69 SIGMAR1 (0.44) HTR7RAB9ACARM1PRMT6PRMT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1112270-B1 DIHYDROBENZODIOXINE CARBOXAMIDE AND KETONE DERIVATIVES AS 5-HT4 RECEPTOR ANTAGONISTS HOFFMANN LA ROCHE (CH) 2007-03-21 EP claimed
EP-1112270-B1 DIHYDROBENZODIOXINE CARBOXAMIDE AND KETONE DERIVATIVES AS 5-HT4 RECEPTOR ANTAGONISTS HOFFMANN LA ROCHE (CH) 2007-03-21 EP disclosed