Sugi Predict

Sugi Predict / Compounds / SCHEMBL6453062

SCHEMBL6453062

SCHEMBL6453062

CCCCCCCC1CCC2CC(c3cc(F)c(-c4ccc(C5=NC(C)(C)CO5)c(F)c4)c(F)c3)CCC2C1

nearest known ligand 0.32

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 2/20 0.32
▸ LMNA P02545 1/20 0.32
▸ HTT P42858 1/20 0.32
▸ GAA P10253 1/20 0.31
▸ CYP2D6 P10635 1/20 0.30
▸ HRH3 Q9Y5N1 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
SCHEMBL6453057 1.00 MAPT (0.32) MAPTLMNAHTTGAACYP2D6
SCHEMBL6462528 1.00 MAPT (0.32) MAPTLMNAHTTGAACYP2D6
SCHEMBL6462522 1.00 MAPT (0.32) MAPTLMNAHTTGAACYP2D6
SCHEMBL6457029 0.99 LMNA (0.33) MAPTLMNAHTTCYP2D6HRH3
SCHEMBL6457023 0.99 LMNA (0.33) MAPTLMNAHTTCYP2D6HRH3
SCHEMBL6460676 0.97 LMNA (0.33) MAPTLMNAHTTCYP2D6HRH3
SCHEMBL6460672 0.97 LMNA (0.33) MAPTLMNAHTTCYP2D6HRH3
SCHEMBL6458600 0.93 LMNA (0.34) MAPTLMNAHTTCYP2D6HRH3
SCHEMBL6458603 0.93 LMNA (0.34) MAPTLMNAHTTCYP2D6HRH3
SCHEMBL6452664 0.92 MAPT (0.33) MAPTLMNAHTTGAA

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