SCHEMBL15810885

SCHEMBL15810885

O=C(I)N1C2CCC1CC(O)C2

nearest known ligand 0.50

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.50
CHRM1 P11229 1/20 0.50
CHRM3 P20309 1/20 0.50
LMNA P02545 1/20 0.46
CYP2C9 P11712 1/20 0.46
HSD11B1 P28845 1/20 0.32
VNN1 O95497 1/20 0.31
OPRL1 P41146 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
SCHEMBL18403418 1.00 CHRM2 (0.50) CHRM2CHRM1CHRM3LMNACYP2C9
SCHEMBL19617896 0.78 CHRM2 (0.52) CHRM2CHRM1CHRM3LMNACYP2C9
SCHEMBL1164859 0.78 CHRM2 (0.52) CHRM2CHRM1CHRM3LMNACYP2C9
SCHEMBL1164966 0.78 CHRM2 (0.52) CHRM2CHRM1CHRM3LMNACYP2C9
SCHEMBL19617523 0.78 CHRM2 (0.52) CHRM2CHRM1CHRM3LMNACYP2C9
SCHEMBL19307797 0.78 CHRM2 (0.52) CHRM2CHRM1CHRM3LMNACYP2C9
SCHEMBL639674 0.78 CHRM2 (0.52) CHRM2CHRM1CHRM3LMNACYP2C9
SCHEMBL17062522 0.78 CHRM2 (0.52) CHRM2CHRM1CHRM3LMNACYP2C9
SCHEMBL23245840 0.76 CHRM2 (0.55) CHRM2CHRM1CHRM3LMNACYP2C9
SCHEMBL15810876 0.76 CHRM2 (0.55) CHRM2CHRM1CHRM3LMNACYP2C9

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-2931724-B1 PYRIDONEMORPHINAN ANALOGS AND BIOLOGICAL ACTIVITY ON OPIOID RECEPTORS PURDUE PHARMA LP (US) 2017-01-25 EP disclosed
WO-2014091295-A1 PYRIDONEMORPHINAN ANALOGS AND BIOLOGICAL ACTIVITY ON OPIOID RECEPTORS PURDUE PHARMA L.P. (US) 2014-06-19 WO disclosed