SCHEMBL29372829

SCHEMBL29372829

CCCC(OC(=O)N(Cc1ccccc1)C1CCC(=O)CC1)C(C)(C)C

nearest known ligand 0.42

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
UBE2M P61081 18/20 0.42
DCUN1D1 Q96GG9 18/20 0.42
OPRM1 P35372 2/20 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
SCHEMBL1964546 0.79 HSD11B1 (0.53) OPRM1
SCHEMBL28019674 0.78 CCR5 (0.47) UBE2MDCUN1D1OPRM1
SCHEMBL566741 0.75 AGER (0.49) DCUN1D1OPRM1
SCHEMBL803784 0.74 CCR5 (0.45) OPRM1
SCHEMBL9998343 0.69 CCR5 (0.55)
Hydrochloric Acid SCHEMBL27382589 0.69 DPP4 (0.45) UBE2MDCUN1D1OPRM1
SCHEMBL12033460 0.69 CCR5 (0.51)
SCHEMBL5029113 0.69 L3MBTL1 (0.37) UBE2MDCUN1D1
SCHEMBL10207431 0.69 HSD11B1 (0.56) OPRM1
Encyprate SCHEMBL122353 0.69 L3MBTL1 (0.55) OPRM1

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-114014844-A Aminopyridine derivatives and their use as selective ALK-2 inhibitors 诺华股份有限公司 2022-02-08 CN disclosed