Sugi Predict

Sugi Predict / Compounds / SCHEMBL6458600

SCHEMBL6458600

SCHEMBL6458600

CCCC1CC[C@@H]2C[C@H](c3cc(F)c(-c4ccc(C5=NC(C)(C)CO5)c(F)c4)c(F)c3)CC[C@@H]2C1

nearest known ligand 0.34

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ HTT P42858 1/20 0.34
▸ HRH3 Q9Y5N1 2/20 0.32
▸ CYP2D6 P10635 1/20 0.32
▸ IL2 P60568 1/20 0.30

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
SCHEMBL6458603 1.00 LMNA (0.34) LMNAMAPTHTTHRH3CYP2D6
SCHEMBL6460672 0.95 LMNA (0.33) LMNAMAPTHTTHRH3CYP2D6
SCHEMBL6460676 0.95 LMNA (0.33) LMNAMAPTHTTHRH3CYP2D6
SCHEMBL6457023 0.94 LMNA (0.33) LMNAMAPTHTTHRH3CYP2D6
SCHEMBL6457029 0.94 LMNA (0.33) LMNAMAPTHTTHRH3CYP2D6
SCHEMBL6462522 0.93 MAPT (0.32) LMNAMAPTHTTHRH3CYP2D6
SCHEMBL6453062 0.93 MAPT (0.32) LMNAMAPTHTTHRH3CYP2D6
SCHEMBL6462528 0.93 MAPT (0.32) LMNAMAPTHTTHRH3CYP2D6
SCHEMBL6453057 0.93 MAPT (0.32) LMNAMAPTHTTHRH3CYP2D6
SCHEMBL6451473 0.93 LMNA (0.35) LMNAMAPTHTTHRH3CYP2D6

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