SCHEMBL20629796

SCHEMBL20629796

CCC1CCN(C(C)=O)[C@@H]1C(C)=O

nearest known ligand 0.32

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 12/20 0.32
CHRM4 P08173 12/20 0.32
CHRM5 P08912 12/20 0.32
CHRM1 P11229 12/20 0.32
CHRM3 P20309 12/20 0.32
MEN1 O00255 1/20 0.32
TSHR P16473 1/20 0.32
HTT P42858 1/20 0.32
KMT2A Q03164 1/20 0.32

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
SCHEMBL18771733 1.00 CHRM2 (0.32) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL18771738 1.00 CHRM2 (0.32) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL7677570 0.87 ATM (0.34) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL7677569 0.87 ATM (0.34) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL19083908 0.87 ATM (0.34) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL7677574 0.87 ATM (0.34) CHRM2CHRM4CHRM5CHRM1CHRM3
Butane SCHEMBL7678465 0.84 MEN1 (0.33) MEN1TSHRHTTKMT2A
SCHEMBL18771916 0.82 DPP4 (0.31)
SCHEMBL20629229 0.82 DPP4 (0.31)
SCHEMBL18771443 0.82 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
EP-3159345-B1 INHIBITORS OF HEPATITIS C VIRUS GILEAD SCIENCES INC (US) 2019-01-09 EP disclosed