SCHEMBL29227144

SCHEMBL29227144

Cc1ccccc1N1CCN(CCCC(N)Cc2c(OCc3ccc(F)cc3)ccc3ccccc23)CC1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 3/20 0.45
▸ FAAH O00519 2/20 0.44
▸ DRD2 P14416 2/20 0.44
▸ CNR1 P21554 2/20 0.44
▸ DRD3 P35462 2/20 0.44
▸ MC4R P32245 7/20 0.43
▸ HTR6 P50406 3/20 0.43
▸ KCNH2 Q12809 2/20 0.43
▸ ALDH1A1 P00352 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ NLRP1 Q9C000 1/20 0.39
▸ BCHE P06276 1/20 0.39
▸ ACHE P22303 1/20 0.39

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
SCHEMBL29227129 0.92 LMNA (0.49) LMNADRD2DRD3MC4RALDH1A1
SCHEMBL29227251 0.89 MC4R (0.51) LMNAMC4R
SCHEMBL29227194 0.87 DRD2 (0.51) LMNADRD2DRD3MC4R
SCHEMBL29227249 0.85 HRH3 (0.48) LMNAMC4RALDH1A1
SCHEMBL29227384 0.84 ABCB1 (0.46) LMNADRD3MC4RKCNH2
SCHEMBL29227161 0.83 LMNA (0.52) LMNAMC4R
SCHEMBL29227128 0.83 LMNA (0.52) LMNAFAAHDRD2CNR1DRD3
SCHEMBL29227228 0.79 LMNA (0.60) LMNAALDH1A1SMN1; SMN2MAPT
SCHEMBL29227124 0.77 MC4R (0.61) LMNAMC4R
SCHEMBL29227170 0.73 ALDH1A1 (0.44) MC4RHTR6KCNH2ALDH1A1

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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