SCHEMBL29132289

SCHEMBL29132289

O=C(O)N1CC[C@@H](Oc2ccncc2)C1

nearest known ligand 0.54

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 3/20 0.54
NAMPT P43490 15/20 0.47
CYP2C9 P11712 2/20 0.47
CYP2J2 P51589 2/20 0.47
ACACB O00763 1/20 0.45
ALDH1A1 P00352 1/20 0.43
HTT P42858 1/20 0.43

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
SCHEMBL26987160 1.00 EPHX2 (0.54) EPHX2NAMPTCYP2C9CYP2J2ACACB
SCHEMBL26989250 1.00 EPHX2 (0.54) EPHX2NAMPTCYP2C9CYP2J2ACACB
SCHEMBL639198 0.91 EPHX2 (0.60) EPHX2NAMPTCYP2C9CYP2J2ALDH1A1
SCHEMBL14992804 0.87 EPHX2 (0.46) EPHX2NAMPTCYP2C9CYP2J2
SCHEMBL2532124 0.86 EPHX2 (0.53) EPHX2CYP2C9CYP2J2
SCHEMBL796858 0.86 EPHX2 (0.53) EPHX2CYP2C9CYP2J2
SCHEMBL796833 0.86 EPHX2 (0.53) EPHX2CYP2C9CYP2J2
SCHEMBL30775323 0.84 EPHX2 (0.48) EPHX2NAMPTCYP2C9CYP2J2ACACB
SCHEMBL594897 0.83 SRD5A1 (0.45) EPHX2NAMPT
SCHEMBL594896 0.83 SRD5A1 (0.45) EPHX2NAMPT

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-117321046-A Indazole-based compounds and related methods of use 阿维纳斯企业公司 2023-12-29 CN disclosed