SCHEMBL3355838

SCHEMBL3355838

CN1CCC(N2C(=O)Cc3ccc(N)cc32)CC1

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ CHRM2 P08172 3/20 0.47
▸ CHRM4 P08173 3/20 0.47
▸ CHRM5 P08912 3/20 0.47
▸ CHRM1 P11229 3/20 0.47
▸ CHRM3 P20309 3/20 0.47
▸ OPRM1 P35372 13/20 0.46
▸ OPRK1 P41145 12/20 0.46
▸ OPRL1 P41146 12/20 0.46
▸ CHRNB4 P30926 1/20 0.43
▸ CHRNA3 P32297 1/20 0.43

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
SCHEMBL29809214 0.83 CHRM2 (0.47) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL16042367 0.83 CHRM2 (0.47) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL10316251 0.79 OPRM1 (0.69) OPRM1OPRK1OPRL1CHRNB4CHRNA3
SCHEMBL2675331 0.79 ATAD2 (0.52) OPRM1OPRK1OPRL1
SCHEMBL5121645 0.77 OPRM1 (0.45) OPRM1OPRK1OPRL1CHRNB4CHRNA3
SCHEMBL31714558 0.76 OPRM1 (0.46) OPRM1OPRK1OPRL1
SCHEMBL12991998 0.75 ATAD2 (0.41) —
SCHEMBL5999430 0.75 OPRM1 (0.49) OPRM1OPRK1OPRL1CHRNB4CHRNA3
SCHEMBL13841066 0.74 OPRM1 (0.56) OPRM1OPRK1OPRL1CHRNB4CHRNA3
SCHEMBL11927508 0.74 NOTUM (0.56) OPRM1OPRK1OPRL1CHRNB4CHRNA3

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-2141163-A1 Substituted thiazolidinones, their production and utilisation as medicine Bayer Schering Pharma AG (DE) 2010-01-06 — — EP disclosed
EP-2141163-A1 Substituted thiazolidinones, their production and utilisation as medicine Bayer Schering Pharma AG (DE) 2010-01-06 — — EP disclosed
Send feedback