SCHEMBL24948369

SCHEMBL24948369

O=C(/C=C/c1ccc(F)c(-c2ccc3cc(S(=O)(=O)O)cc(S(=O)(=O)O)c3c2)c1)NCCCCC1CCN(C(=O)c2ccccc2)CC1

nearest known ligand 0.53

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ NAMPT P43490 16/20 0.53
▸ CYP3A4 P08684 1/20 0.53
▸ CYP2C9 P11712 1/20 0.53
▸ ACHE P22303 4/20 0.39
▸ BCHE P06276 3/20 0.39
▸ MAOA P21397 2/20 0.38
▸ MAOB P27338 2/20 0.38

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
SCHEMBL30205697 0.89 NAMPT (0.48) NAMPTCYP3A4CYP2C9ACHEBCHE
SCHEMBL24947604 0.80 NAMPT (0.67) NAMPTCYP3A4CYP2C9ACHEBCHE
SCHEMBL21060370 0.78 NAMPT (0.71) NAMPTCYP3A4CYP2C9ACHEBCHE
SCHEMBL19317565 0.76 NAMPT (0.82) NAMPTCYP3A4CYP2C9ACHEBCHE
SCHEMBL19834837 0.70 NAMPT (0.65) NAMPTCYP3A4CYP2C9ACHEBCHE
Daporinad SCHEMBL156944 0.70 NAMPT (1.00) NAMPTCYP3A4CYP2C9
Daporinad SCHEMBL82367 0.70 NAMPT (1.00) NAMPTCYP3A4CYP2C9
SCHEMBL19834849 0.70 NAMPT (0.80) NAMPTCYP3A4CYP2C9ACHEBCHE
Daporinad SCHEMBL31181445 0.70 NAMPT (1.00) NAMPTCYP3A4CYP2C9
Daporinad SCHEMBL82368 0.70 NAMPT (1.00) NAMPTCYP3A4CYP2C9

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
WO-2023007147-A1 6-SUBSTITUTED NAPHTHALENE-1,3-DISULFONIC ACID DERIVATIVES AS MODULATORS OF THE EXTRACELLULAR NICOTINAMIDE PHOSPHORIBOSYL TRANSFERASE (ENAMPT) FOR THE TREATMENT OF E.G. DIABETES THE UNIVERSITY OF MANCHESTER (GB) 2023-02-02 — — WO disclosed
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