SCHEMBL9921668

SCHEMBL9921668

C=C(NC[C@@H]1CCCN1C)OC(C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.41
CHRNB4 P30926 3/20 0.36
CHRNA3 P32297 3/20 0.36
CHRNB2 P17787 3/20 0.36
CHRNA4 P43681 3/20 0.36
OPRD1 P41143 1/20 0.34
CHRNA5 P30532 1/20 0.33
CHRNA7 P36544 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
KAT2B Q92831 1/20 0.33

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
SCHEMBL8038051 0.82 EPHX1 (0.43) OPRM1CHRNB2CHRNA4CHRNA5CHRNA7
SCHEMBL8055435 0.82 EPHX1 (0.43) OPRM1CHRNB2CHRNA4CHRNA5CHRNA7
SCHEMBL11240147 0.75 OPRM1 (0.46) OPRM1CHRNB2CHRNA4CHRNA5CHRNA7
SCHEMBL16501770 0.73 PREP (0.48) OPRM1CHRNB4CHRNA3CHRNB2CHRNA4
SCHEMBL28645032 0.71 DRD2 (0.43) CHRNB2CHRNA4CHRNA5CHRNA7
SCHEMBL29358366 0.70 CHRNB2 (0.44) OPRM1CHRNB2CHRNA4CHRNA5CHRNA7
SCHEMBL8320704 0.70 FAP (0.44) OPRM1CHRNB2CHRNA4CHRNA5CHRNA7
SCHEMBL12506716 0.70 FAP (0.44) OPRM1CHRNB2CHRNA4CHRNA5CHRNA7
SCHEMBL8049484 0.70 MTNR1A (0.47) OPRM1CHRNB2CHRNA4CHRNA5CHRNA7
SCHEMBL19103236 0.70 CYP1A2 (0.40) OPRM1KAT2B

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-2010185-B1 DIHYDROTHIENOPYRIMIDINE FOR TREATING INFLAMMATORY DISORDERS BOEHRINGER INGELHEIM INT (DE) 2012-06-13 EP disclosed