SCHEMBL25910259

SCHEMBL25910259

CC(C)N1CC2CCC(C1)N2C(=O)[C@@H]1CN1

nearest known ligand 0.32

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 4/20 0.32
CHRNB2 P17787 1/20 0.30
CHRNA3 P32297 1/20 0.30
CHRNA4 P43681 1/20 0.30
CHRNB3 Q05901 1/20 0.30
CHRNA6 Q15825 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
SCHEMBL25910182 0.88 DPP4 (0.34) HRH3
SCHEMBL25910267 0.83 DPP4 (0.36) HRH3
SCHEMBL7851975 0.80 HRH3 (0.41) HRH3CHRNB2CHRNA3CHRNA4CHRNB3
SCHEMBL25911957 0.80 DPP4 (0.33) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL26203668 0.77 RECQL (0.46) HRH3CHRNB2CHRNA3CHRNA4CHRNB3
SCHEMBL25909962 0.77 CHRNB2 (0.33) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL25909958 0.77 CHRNB2 (0.33) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL18375130 0.76 SMN1; SMN2 (0.37) HRH3
SCHEMBL21722669 0.76 HRH3 (0.33) HRH3
SCHEMBL20008986 0.76 SMN1; SMN2 (0.37) HRH3

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-2023141300-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF KUMQUAT BIOSCIENCES INC. (US) 2023-07-27 WO disclosed