SCHEMBL21872695

SCHEMBL21872695

CC(=O)OC1CC(C#N)C1

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ CHRM2 P08172 7/20 0.42
▸ CHRM4 P08173 7/20 0.42
▸ CHRM1 P11229 7/20 0.42
▸ CHRM3 P20309 7/20 0.42
▸ CHRM5 P08912 5/20 0.42
▸ DPP4 P27487 2/20 0.40
▸ DPP8 Q6V1X1 2/20 0.40
▸ DPP9 Q86TI2 2/20 0.40
▸ TSHR P16473 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
SCHEMBL28072371 0.89 CHRM2 (0.36) CHRM2CHRM4CHRM1CHRM3CHRM5
SCHEMBL10620127 0.81 DPP4 (0.36) CHRM2CHRM4CHRM1CHRM3CHRM5
SCHEMBL23671413 0.78 ATM (0.38) —
SCHEMBL21872660 0.78 ATM (0.38) —
SCHEMBL6653691 0.78 CHRM2 (0.52) CHRM2CHRM4CHRM1CHRM3CHRM5
SCHEMBL10449210 0.78 CHRM2 (0.52) CHRM2CHRM4CHRM1CHRM3CHRM5
SCHEMBL14141163 0.78 CHRM2 (0.52) CHRM2CHRM4CHRM1CHRM3CHRM5
SCHEMBL11410395 0.76 DPP4 (0.36) CHRM2CHRM4CHRM1CHRM3CHRM5
SCHEMBL12990820 0.74 CHRM2 (0.48) CHRM2CHRM4CHRM1CHRM3CHRM5
SCHEMBL18250835 0.74 CHRM2 (0.48) CHRM2CHRM4CHRM1CHRM3CHRM5

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-2020072695-A1 8-AMINOISOQUINOLINE COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2020-04-09 — — WO disclosed
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