SCHEMBL9738403

SCHEMBL9738403

CC(C)(C)C1(C#CCN2CCCC2)CCCN1C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.37
CHRM1 P11229 14/20 0.37
CHRM2 P08172 13/20 0.37
CHRM4 P08173 13/20 0.37
CHRM5 P08912 13/20 0.37
CHRM3 P20309 13/20 0.37
NPSR1 Q6W5P4 1/20 0.35

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
SCHEMBL9738396 1.00 GAA (0.37) GAACHRM1CHRM2CHRM4CHRM5
SCHEMBL9829899 0.81 CHRM1 (0.35) CHRM1CHRM2CHRM4CHRM5CHRM3
SCHEMBL3186817 0.74 DPP4 (0.35) NPSR1
SCHEMBL3591992 0.74
SCHEMBL1150768 0.74 DPP4 (0.35) NPSR1
SCHEMBL231221 0.74
SCHEMBL23247420 0.73 DPP4 (0.32)
SCHEMBL82542 0.73 DPP4 (0.32)
SCHEMBL17536883 0.71
SCHEMBL3598480 0.64 DPP4 (0.31)

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-5157124-A Improving mental performance THE UPJOHN COMPANY (US) 1992-10-20 US disclosed