SCHEMBL28837017

SCHEMBL28837017

Cc1ccc(S(=O)(=O)OCCC2CC3(CCN(C(=O)OC(C)(C)C)CC3)C(=O)N2C)cc1

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 14/20 0.46
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
MMP13 P45452 4/20 0.40
ADAM17 P78536 3/20 0.40
TP53 P04637 1/20 0.40
MMP2 P08253 2/20 0.39
MMP14 P50281 1/20 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
SCHEMBL28837015 1.00 GPR119 (0.46) GPR119MEN1KMT2AMMP13ADAM17
SCHEMBL23364148 0.88 CYP2D6 (0.37)
SCHEMBL23364149 0.88 CYP2D6 (0.37)
SCHEMBL29784986 0.82 STS (0.46) GPR119
SCHEMBL29770088 0.82 HTR7 (0.52) GPR119MEN1KMT2A
SCHEMBL28537559 0.82 GPR119 (0.46) GPR119MEN1KMT2AMMP13TP53
SCHEMBL28537628 0.82 GPR119 (0.46) GPR119MEN1KMT2AMMP13TP53
SCHEMBL28537557 0.82 GPR119 (0.46) GPR119MEN1KMT2AMMP13TP53
SCHEMBL30451018 0.81 GPR119 (0.68) GPR119MEN1KMT2AMMP13
SCHEMBL25547276 0.81 GPR119 (0.68) GPR119MEN1KMT2AMMP13

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-115003675-A Novel functionalized lactams as 5-hydroxytryptamine receptor 7 modulators and methods of use thereof 英联邦高等教育系统坦普尔大学 2022-09-02 CN disclosed