SCHEMBL31059149

SCHEMBL31059149

CC1CC2(Cc3cc(=O)n(C)cc3O2)CN1C(=O)OC(C)(C)C

nearest known ligand 0.31

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ HRH3 Q9Y5N1 1/20 0.31
▸ ACACB O00763 1/20 0.30
▸ GPR119 Q8TDV5 1/20 0.30
▸ IMPDH2 P12268 3/20 0.30
▸ SETD7 Q8WTS6 1/20 0.30

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
SCHEMBL23317064 1.00 HRH3 (0.31) HRH3ACACBGPR119IMPDH2SETD7
SCHEMBL23305874 0.85 HDAC3 (0.30) —
SCHEMBL25070634 0.82 KDM4E (0.32) HRH3ACACBGPR119IMPDH2
SCHEMBL23317404 0.80 NAMPT (0.37) HRH3GPR119
SCHEMBL31059165 0.80 NAMPT (0.37) HRH3GPR119
SCHEMBL31059139 0.80 ACACB (0.35) HRH3ACACBGPR119IMPDH2
SCHEMBL31059155 0.80 ACACB (0.34) HRH3ACACBGPR119IMPDH2
SCHEMBL23317472 0.80 ACACB (0.35) HRH3ACACBGPR119IMPDH2
SCHEMBL23317063 0.80 ACACB (0.34) HRH3ACACBGPR119IMPDH2
SCHEMBL23317062 0.79 ACACB (0.33) HRH3ACACBGPR119

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-114929709-B Spirocyclic O-glycoprotein-2-acetamido-2-deoxy-3-D-glucopyranoside inhibitors 比奥根MA公司 2024-08-30 — — CN disclosed
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