SCHEMBL4584160

SCHEMBL4584160

CC(C)(C)OC(=O)ON1CC2OC2C1

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.35
CHRM1 P11229 1/20 0.35
CHRM3 P20309 1/20 0.35
USP2 O75604 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
NR1H2 P55055 1/20 0.33
GAA P10253 1/20 0.31
RECQL P46063 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
SCHEMBL6954990 0.89 CHRM2 (0.34) CHRM2CHRM1CHRM3USP2SMN1; SMN2
SCHEMBL14764516 0.81 CHRM2 (0.41) CHRM2CHRM1CHRM3USP2SMN1; SMN2
SCHEMBL8329335 0.81 CHRM2 (0.37) CHRM2CHRM1CHRM3USP2SMN1; SMN2
SCHEMBL8329981 0.81 CHRM2 (0.37) CHRM2CHRM1CHRM3USP2SMN1; SMN2
SCHEMBL5777875 0.78 CHRNB2 (0.30)
SCHEMBL9942309 0.76
SCHEMBL14324896 0.76
SCHEMBL5537141 0.75 CHRNA4 (0.43) NR1H2
SCHEMBL3397031 0.75 CHRNA4 (0.43) NR1H2
SCHEMBL4435193 0.74 CHRM2 (0.33) CHRM2CHRM1CHRM3NR1H2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2132193-B1 SUBSTITUTED PYRROLIDINE AMIDES, THE PRODUCTION THEREOF, AND THE USE THEREOF AS MEDICATIONS BOEHRINGER INGELHEIM INT (DE) 2012-10-24 EP disclosed
EP-1975165-A1 Substituted pyrrolidinamides, their production and utilisation as medicine Boehringer Ingelheim Pharma GmbH & Co. KG (DE) 2008-10-01 EP disclosed