SCHEMBL26574685

SCHEMBL26574685

Cc1cc(C)c(N2C(CCCc3c(F)c(F)c(F)c(F)c3F)C(CCCc3c(F)c(F)c(F)c(F)c3F)N(c3c(C)cc(C)cc3C)C2C)c(C)c1

nearest known ligand 0.31

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.31
IDH1 O75874 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
SCHEMBL27430107 0.86
SCHEMBL10029424 0.80 SIRT2 (0.35)
SCHEMBL26575581 0.75 IDH1 (0.37) HRH3IDH1
SCHEMBL26575506 0.73
SCHEMBL27429932 0.71
SCHEMBL26575199 0.68
SCHEMBL12751334 0.67 ALDH1A1 (0.33) HRH3
SCHEMBL13512034 0.67 CRHR1 (0.34)
SCHEMBL26111478 0.66
SCHEMBL27429855 0.64 IDH1 (0.33) IDH1

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-2023196594-A2 SABRE CATALYSTS CONTAINING FLUORINATED CARBON CHAINS FOR DELIVERY OF METAL-FREE MRI CONTRAST AGENTS THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2023-10-12 WO disclosed
WO-2023196602-A1 INFUSION DEVICE FOR THE PREPARATION AND DELIVERY OF MRI PROBES THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2023-10-12 WO disclosed