SCHEMBL9628843

SCHEMBL9628843

CCC1COC(C)C(CC)O1

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 8/20 0.39
CHRM5 P08912 5/20 0.39
CHRM1 P11229 4/20 0.39
CHRM3 P20309 4/20 0.39
CHRM4 P08173 3/20 0.39
TSHR P16473 1/20 0.38
MAPK1 P28482 1/20 0.38
KDM4E B2RXH2 1/20 0.36
HTT P42858 1/20 0.36
ALDH1A1 P00352 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
SCHEMBL9629834 0.82 CHRM2 (0.39) CHRM2CHRM5CHRM1CHRM3CHRM4
SCHEMBL10059335 0.79 CHRM2 (0.32) CHRM2CHRM5CHRM1CHRM3CHRM4
SCHEMBL19115367 0.78
SCHEMBL13106878 0.78
SCHEMBL1936709 0.78
SCHEMBL3299044 0.78 CHRM2 (0.46) CHRM2CHRM5CHRM1CHRM3CHRM4
SCHEMBL9628840 0.77 CHRM2 (0.35) CHRM2CHRM5CHRM1CHRM3CHRM4
SCHEMBL9629830 0.71 CHRM2 (0.34) CHRM2CHRM5CHRM1CHRM3CHRM4
SCHEMBL10406271 0.71 CHRM2 (0.32) CHRM2CHRM5CHRM1CHRM3CHRM4
SCHEMBL10406590 0.71 CHRM2 (0.32) CHRM2CHRM5CHRM1CHRM3CHRM4

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0327912-B1 N,N-DISUBSTITUTED PIPERAZINES BASF Aktiengesellschaft (DE) 1992-04-08 EP disclosed
US-5068246-A Plants BASF AKTIENGESELLSCHAFT (DE) 1991-11-26 US disclosed
US-4935426-A FUNGICIDES BASF AKTIENGESELLSCHAFT (DE) 1990-06-19 US disclosed
EP-0327912-A1 N,N-disubstituted piperazines BASF Aktiengesellschaft (DE) 1989-08-16 EP disclosed
EP-0309914-A2 Fungicidal N-substituted 3-alkyl-4-aryl-pyrrolidine derivatives BASF Aktiengesellschaft (DE) 1989-04-05 EP disclosed