SCHEMBL17467699

SCHEMBL17467699

C[C@@H]1CN(C(=O)O)CCN1CC=O

nearest known ligand 0.38

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ CHRM1 P11229 2/20 0.38
▸ DRD3 P35462 1/20 0.34
▸ SLC6A9 P48067 2/20 0.33
▸ SIGMAR1 Q99720 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
SCHEMBL28721916 0.83 PARP1 (0.39) CHRM1DRD3SLC6A9
SCHEMBL28722176 0.83 PARP1 (0.39) CHRM1DRD3SLC6A9
SCHEMBL23860097 0.81 DRD3 (0.36) CHRM1DRD3SLC6A9SIGMAR1
SCHEMBL1499106 0.79 GPR119 (0.41) —
SCHEMBL17467697 0.77 DRD3 (0.40) CHRM1DRD3SLC6A9SIGMAR1
SCHEMBL28719989 0.77 CHRM1 (0.42) CHRM1DRD3SLC6A9SIGMAR1
SCHEMBL28719987 0.77 CHRM1 (0.42) CHRM1DRD3SLC6A9SIGMAR1
SCHEMBL13451573 0.77 DRD3 (0.40) CHRM1DRD3SLC6A9SIGMAR1
SCHEMBL1499107 0.76 THRA (0.30) —
SCHEMBL23860181 0.76 DRD3 (0.39) CHRM1DRD3SLC6A9SIGMAR1

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
US-9249145-B2 Heterocyclic derivatives of pyrazol-4-yl-pyrrolo[2,3-d]pyrimidines as janus kinase inhibitors INCYTE HOLDINGS CORPORATION (US) 2016-02-02 — — US disclosed
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