SCHEMBL15028545

SCHEMBL15028545

C=C(F)C(=O)N[C@H]1CCCc2ccccc21

nearest known ligand 0.66

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.66
ALDH1A1 P00352 4/20 0.60
TAS1R3 Q7RTX0 8/20 0.60
TAS1R1 Q7RTX1 8/20 0.60
TAS1R2 Q8TE23 6/20 0.60
KMT2A Q03164 2/20 0.60
LMNA P02545 2/20 0.60
MEN1 O00255 1/20 0.59
EPHX1 P07099 1/20 0.59
NPSR1 Q6W5P4 1/20 0.57
HSD17B10 Q99714 1/20 0.56
KDM4E B2RXH2 1/20 0.56

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
SCHEMBL15705319 0.85 HTT (0.68) HTTALDH1A1TAS1R3TAS1R1TAS1R2
SCHEMBL30133389 0.84 HTT (0.71) HTTALDH1A1TAS1R3TAS1R1TAS1R2
SCHEMBL30277147 0.84 HTT (0.71) HTTALDH1A1TAS1R3TAS1R1TAS1R2
SCHEMBL24710086 0.84 HTT (0.71) HTTALDH1A1TAS1R3TAS1R1TAS1R2
SCHEMBL29179558 0.84 HTT (0.71) HTTALDH1A1TAS1R3TAS1R1TAS1R2
SCHEMBL5652155 0.82 HTT (0.65) HTTALDH1A1TAS1R3TAS1R1TAS1R2
SCHEMBL29179603 0.82 HTT (0.65) HTTALDH1A1TAS1R3TAS1R1TAS1R2
SCHEMBL30852969 0.82 HTT (0.65) HTTALDH1A1TAS1R3TAS1R1TAS1R2
SCHEMBL1568062 0.80 KMT2A (0.71) HTTALDH1A1TAS1R3TAS1R1TAS1R2
SCHEMBL9011724 0.80 HTT (0.75) HTTALDH1A1TAS1R3TAS1R1TAS1R2

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
WO-2014195400-A1 KINASE INHIBITORS CHIESI FARMACEUTICI S.P.A. (IT) 2014-12-11 WO disclosed
WO-2013083206-A1 DERIVATIVES OF 4-HYDROXY-1,2,3,4-TETRAHYDRONAPHTALEN-1-YL UREA AND THEIR USE IN THE TREATMENT OF, INTER ALIA, DISEASES OF THE RESPIRATORY TRACT CHIESI FARMACEUTICI S.P.A. (IT) 2013-06-13 WO disclosed