SCHEMBL29227161

SCHEMBL29227161

CN1CCN(CCC(N)Cc2c(OCc3ccc(F)cc3)ccc3ccccc23)CC1

nearest known ligand 0.52

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 1/20 0.52
▸ MC4R P32245 11/20 0.48
▸ MEN1 O00255 2/20 0.44
▸ KMT2A Q03164 2/20 0.44
▸ KDM4E B2RXH2 1/20 0.44
▸ TSHR P16473 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41

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
SCHEMBL29227251 0.94 MC4R (0.51) LMNAMC4RMEN1KMT2AKDM4E
SCHEMBL29227135 0.85 LMNA (0.58) LMNAMC4RMEN1KMT2AKDM4E
SCHEMBL29227249 0.84 HRH3 (0.48) LMNAMC4RMEN1KMT2AKDM4E
SCHEMBL29227228 0.84 LMNA (0.60) LMNAMEN1KMT2AKDM4EL3MBTL1
SCHEMBL29227144 0.83 LMNA (0.45) LMNAMC4R
SCHEMBL29227129 0.83 LMNA (0.49) LMNAMC4R
SCHEMBL29227194 0.83 DRD2 (0.51) LMNAMC4RMEN1KMT2AKDM4E
SCHEMBL29227124 0.83 MC4R (0.61) LMNAMC4RMEN1KMT2AKDM4E
SCHEMBL29227112 0.79 LMNA (0.60) LMNAMC4RMEN1KMT2AKDM4E
SCHEMBL29227117 0.78 LMNA (0.59) LMNAMC4RMEN1KMT2AKDM4E

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117946031-A Substituted aromatic phenol derivatives of KNa1.1 channel inhibitors 北京大学 2024-04-30 — — CN disclosed
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