SCHEMBL29227101

SCHEMBL29227101

CC1CCN(CCc2c(OCc3ccc(F)cc3)ccc3ccccc23)CC1

nearest known ligand 0.55

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 1/20 0.55
▸ HRH3 Q9Y5N1 2/20 0.50
▸ KDM4E B2RXH2 1/20 0.47
▸ MEN1 O00255 1/20 0.47
▸ KMT2A Q03164 1/20 0.47
▸ MC4R P32245 8/20 0.45
▸ ACHE P22303 1/20 0.44
▸ DRD4 P21917 1/20 0.43

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
SCHEMBL29227077 0.89 LMNA (0.57) LMNAHRH3KDM4EMEN1KMT2A
SCHEMBL29227135 0.88 LMNA (0.58) LMNAKDM4EMEN1KMT2AMC4R
SCHEMBL29227118 0.88 LMNA (0.51) LMNAKDM4EMEN1KMT2AMC4R
SCHEMBL30873550 0.87 LMNA (0.57) LMNAHRH3KDM4EMEN1KMT2A
SCHEMBL29227088 0.85 LMNA (0.55) LMNAKDM4EMEN1KMT2AMC4R
SCHEMBL29227087 0.85 LMNA (0.56) LMNAHRH3KDM4EMEN1KMT2A
SCHEMBL29227249 0.84 HRH3 (0.48) LMNAHRH3KDM4EMEN1KMT2A
SCHEMBL29227124 0.82 MC4R (0.61) LMNAKDM4EMEN1KMT2AMC4R
SCHEMBL29227354 0.79 LMNA (0.57) LMNAKDM4EMEN1KMT2A
SCHEMBL30873571 0.78 HRH3 (0.53) HRH3

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