SCHEMBL5548652

SCHEMBL5548652

CC(C)(C)OC(=O)N1CCC(CNc2[c]ccc(C(F)(F)F)c2)CC1

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 4/20 0.53
KDM4E B2RXH2 1/20 0.52
PKM P14618 1/20 0.52
STS P08842 1/20 0.48
GPR119 Q8TDV5 8/20 0.46
BRD4 O60885 1/20 0.45
RORC P51449 1/20 0.44
FPR3 P25089 1/20 0.44
FPR2 P25090 1/20 0.44
MAPT P10636 1/20 0.44

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
SCHEMBL5548685 0.79 ABL1 (0.48) STSMAPT
Hydrochloric Acid SCHEMBL1856109 0.76 TGFBR1 (0.57) TGFBR1KDM4EPKMSTSGPR119
SCHEMBL7803789 0.76 KDM4E (0.69) TGFBR1KDM4EPKMSTSGPR119
SCHEMBL12205201 0.75 TGFBR1 (0.56) TGFBR1KDM4EPKMSTSGPR119
SCHEMBL5547776 0.75 RXFP1 (0.45)
SCHEMBL31071538 0.75 TGFBR1 (0.51) TGFBR1KDM4EPKMSTSGPR119
SCHEMBL18280017 0.75 TGFBR1 (0.53) TGFBR1KDM4EPKMSTSGPR119
SCHEMBL3087666 0.75 KDM4E (0.70) TGFBR1KDM4EPKMSTSGPR119
SCHEMBL25301261 0.74 TGFBR1 (0.76) TGFBR1KDM4EPKMSTSMAPT
SCHEMBL1443815 0.74 KDM4E (0.54) TGFBR1KDM4EPKMSTSBRD4

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-1780211-A2 Vanilloid receptor ligands and their use in treatments Amgen Inc. (US) 2007-05-02 EP disclosed
EP-1775295-A1 Vanilloid receptor ligands and their use in treatments Amgen Inc. (US) 2007-04-18 EP disclosed