SCHEMBL30772003

SCHEMBL30772003

C[C@H](NC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@@H](N1CCCCC1)C(C)(C)C)c1ccc(-c2ccccc2F)cc1

nearest known ligand 0.48

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
VHL P40337 18/20 0.48
ELOC Q15369 5/20 0.43
ELOB Q15370 5/20 0.43
DPP4 P27487 1/20 0.38
DPP7 Q9UHL4 1/20 0.38
AR P10275 1/20 0.38
PDE2A O00408 1/20 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
SCHEMBL30771987 0.85 VHL (0.51) VHLELOCELOBDPP4DPP7
SCHEMBL30772055 0.85 VHL (0.51) VHLELOCELOBDPP4DPP7
SCHEMBL30771993 0.85 VHL (0.51) VHLELOCELOBDPP4DPP7
SCHEMBL27360233 0.83 VHL (0.52) VHLELOCELOBPDE2A
SCHEMBL30772070 0.82 VHL (0.50) VHLELOCELOBDPP4DPP7
SCHEMBL30772061 0.82 VHL (0.53) VHLELOCELOB
SCHEMBL24438430 0.82 VHL (0.72) VHLELOCELOBDPP4DPP7
SCHEMBL24438218 0.82 VHL (0.72) VHLELOCELOBDPP4DPP7
SCHEMBL30570894 0.82 VHL (0.72) VHLELOCELOBDPP4DPP7
SCHEMBL24438222 0.82 VHL (0.72) VHLELOCELOBDPP4DPP7

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-2024001839-A1 HETEROAROMATIC RING COMPOUND, METHOD FOR PREPARING SAME, AND USE THEREOF 四川科伦博泰生物医药股份有限公司 2024-01-04 WO disclosed