SCHEMBL22932932

SCHEMBL22932932

C=C(CC(C)(C)C)N1CCN(c2cccc(NCc3ccc(C#N)cc3F)n2)CC1

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ TRPA1 O75762 1/20 0.38
▸ ENPP2 Q13822 1/20 0.37
▸ HRH4 Q9H3N8 1/20 0.36
▸ GPR6 P46095 2/20 0.36
▸ BDKRB1 P46663 1/20 0.35
▸ VNN1 O95497 1/20 0.35
▸ GLP1R P43220 9/20 0.35
▸ LMNA P02545 1/20 0.34
▸ RORC P51449 1/20 0.34
▸ DRD2 P14416 1/20 0.34
▸ DRD3 P35462 1/20 0.34
▸ KCNK3 O14649 1/20 0.33

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
SCHEMBL22932935 0.85 GPR119 (0.48) TRPA1
SCHEMBL22933037 0.84 TRPA1 (0.37) TRPA1ENPP2GPR6GLP1RLMNA
SCHEMBL22932912 0.81 DPP4 (0.46) HRH4VNN1GLP1RLMNADRD2
SCHEMBL22936027 0.74 PHGDH (0.40) HRH4
SCHEMBL25944585 0.72 NPSR1 (0.49) VNN1LMNA
SCHEMBL22391614 0.71 ACHE (0.50) BDKRB1
SCHEMBL22937056 0.71 PHGDH (0.41) TRPA1DRD3
SCHEMBL22933035 0.70 GPR119 (0.53) GLP1R
SCHEMBL23273486 0.70 VNN1 (0.43) VNN1LMNA
SCHEMBL22933033 0.70 KIF18A (0.54) TRPA1GPR6LMNA

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
WO-2021018023-A1 SMALL MOLECULE GLP-1 RECEPTOR MODULATOR 济南泰达领创医药技术有限公司 2021-02-04 — — WO disclosed
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