SCHEMBL25801540

SCHEMBL25801540

CN(C)C(=O)[C@H](CC(=O)OC(C)(C)C)N(C)C(=O)[C@H](C1CCCC1)N(C)C(=O)C1(NOC(=O)c2ccccc2)CCCC1

nearest known ligand 0.34

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2D6 P10635 1/20 0.34
SCN1A P35498 1/20 0.34
SCN2A Q99250 1/20 0.34
SCN3A Q9NY46 1/20 0.34
USP30 Q70CQ3 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
SCHEMBL25801634 0.83
SCHEMBL25801571 0.83
SCHEMBL31185261 0.83
SCHEMBL24733718 0.83 CTSS (0.40)
SCHEMBL25801463 0.81 CYP1A2 (0.35) LMNACYP1A2CYP2D6SCN1ASCN2A
SCHEMBL24734200 0.79
SCHEMBL24733706 0.77
SCHEMBL24733659 0.77
SCHEMBL25801572 0.77
SCHEMBL24733470 0.77 KMT2A (0.43) LMNA

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-2023127869-A1 METHOD FOR PRODUCING N-ALKYL AMINO ACID AND PEPTIDE INCLUDING N-ALKYL AMINO ACID 中外製薬株式会社 2023-07-06 WO disclosed