SCHEMBL21095888

SCHEMBL21095888

C=C(C(=O)OCC)[C@@H]1CN2CCC1C2

nearest known ligand 0.51

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ CHRM1 P11229 3/20 0.38
▸ CHRM2 P08172 2/20 0.38
▸ CHRM4 P08173 2/20 0.38
▸ CHRM3 P20309 2/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ GAA P10253 1/20 0.36
▸ CHRNB2 P17787 1/20 0.36
▸ CHRNA4 P43681 1/20 0.36

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
SCHEMBL7330432 0.81 CHRM1 (0.42) CHRM1CHRM2CHRM4CHRM3ALDH1A1
SCHEMBL3319442 0.74 CHRM2 (0.42) CHRM1CHRM2ALDH1A1MAPT
SCHEMBL9400768 0.74 CHRM1 (0.42) CHRM1ALDH1A1MAPT
SCHEMBL9400765 0.74 CHRM1 (0.42) CHRM1ALDH1A1MAPT
SCHEMBL9696817 0.72 ALDH1A1 (0.46) CHRM1CHRM2CHRM4CHRM3ALDH1A1
SCHEMBL9696811 0.72 CHRM1 (0.40) CHRM1CHRM2GAACHRNB2CHRNA4
SCHEMBL25606145 0.72 CHRM1 (0.40) CHRM1CHRM2GAACHRNB2CHRNA4
SCHEMBL9523751 0.72 CHRM2 (0.41) CHRM1CHRM2CHRM4CHRM3ALDH1A1
SCHEMBL4339192 0.70 CHRM2 (0.42) CHRM1CHRM2CHRM4CHRM3ALDH1A1
SCHEMBL7493133 0.70 CHRM2 (0.42) CHRM1CHRM2CHRM4CHRM3ALDH1A1

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-2019118528-A1 PROGRANULIN MODULATORS AND METHODS OF USING THE SAME ARKUDA THERAPEUTICS (US) 2019-06-20 — — WO disclosed
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