SCHEMBL6458272

SCHEMBL6458272

O=CCCC1CCC2CC(c3ccc(F)c(F)c3)CCC2C1

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 1/20 0.37
USP30 Q70CQ3 1/20 0.36
USP5 P45974 2/20 0.35
HDAC6 Q9UBN7 1/20 0.35
HTR2A P28223 1/20 0.35
HTR2C P28335 1/20 0.35
HTR2B P41595 1/20 0.35
DGAT1 O75907 1/20 0.33
SOAT1 P35610 1/20 0.33
KDM1A O60341 3/20 0.31
MAOB P27338 1/20 0.31
HCRTR2 O43614 1/20 0.31

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
SCHEMBL6458270 1.00 CCR2 (0.37) CCR2USP30USP5HDAC6HTR2A
SCHEMBL6457133 0.89 PROKR1 (0.31)
SCHEMBL6457129 0.89 PROKR1 (0.31)
SCHEMBL6458361 0.88 CCR2 (0.34) CCR2USP30USP5HDAC6HTR2A
SCHEMBL6458356 0.88 CCR2 (0.34) CCR2USP30USP5HDAC6HTR2A
SCHEMBL6450994 0.87 KDM1A (0.44) HTR2AKDM1AMAOB
SCHEMBL6450997 0.87 KDM1A (0.44) HTR2AKDM1AMAOB
SCHEMBL6455866 0.86
SCHEMBL6455870 0.86
SCHEMBL6453768 0.86 CCR2 (0.33) CCR2USP30USP5HDAC6HTR2A

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
US-6913797-B1 Decahydronaphthalene derivative DAINIPPON INK AND CHEMICALS, INC. (JP) 2005-07-05 US disclosed
EP-1108700-A1 DECAHYDRONAPHTHALENE DERIVATIVE DAINIPPON INK AND CHEMICALS, INC. (JP) 2001-06-20 EP disclosed