SCHEMBL22138371

SCHEMBL22138371

CCCC(=O)NCCOCCOCCOCCOCCOCCOCCOCCOCCC(=O)N[C@H](C(=O)N[C@@H](CCCNC(N)=O)C(=O)Nc1ccc(CC)cc1)C(C)C

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ FURIN P09958 2/20 0.44
▸ CHRNA1 P02708 2/20 0.40
▸ CHRNG P07510 2/20 0.40
▸ CHRNB1 P11230 2/20 0.40
▸ CHRND Q07001 2/20 0.40
▸ HTT P42858 1/20 0.40
▸ GLP1R P43220 8/20 0.37
▸ SIRT1 Q96EB6 4/20 0.37
▸ NPY1R P25929 1/20 0.36
▸ NPY4R P50391 1/20 0.36
▸ SIRT2 Q8IXJ6 3/20 0.36

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
SCHEMBL22138373 0.92 FURIN (0.45) FURINCHRNA1CHRNGCHRNB1CHRND
SCHEMBL22138449 0.92 SIRT1 (0.41) FURINCHRNA1CHRNGCHRNB1CHRND
SCHEMBL24829575 0.92 SIRT1 (0.41) FURINCHRNA1CHRNGCHRNB1CHRND
SCHEMBL25733655 0.91 FURIN (0.45) FURINCHRNA1CHRNGCHRNB1CHRND
SCHEMBL24916488 0.91 FURIN (0.48) FURINCHRNA1CHRNGCHRNB1CHRND
SCHEMBL19591557 0.91 FURIN (0.49) FURINCHRNA1CHRNGCHRNB1CHRND
SCHEMBL22702532 0.90 FURIN (0.38) FURINCHRNA1CHRNGCHRNB1CHRND
SCHEMBL24591729 0.90 GLP1R (0.39) FURINCHRNA1CHRNGCHRNB1CHRND
SCHEMBL22702633 0.88 TRPV1 (0.38) FURINCHRNA1CHRNGCHRNB1CHRND
SCHEMBL14012350 0.87 HTT (0.38) FURINHTTGLP1RSIRT1SIRT2

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
WO-2021211984-A1 DIELS-ALDER CONJUGATION METHODS REGENERON PHARMACEUTICALS, INC. (US) 2021-10-21 — — WO disclosed
WO-2020132483-A1 RIFAMYCIN ANALOGS AND ANTIBODY-DRUG CONJUGATES THEREOF REGENERON PHARMACEUTICALS, INC. (US) 2020-06-25 — — WO disclosed
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