SCHEMBL7196680

SCHEMBL7196680

CCN(CC)C(=O)c1ccc(C2(c3ccc(NC(=O)O)cc3)CN(CC3CC3)CCO2)cc1

nearest known ligand 0.49

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 9/20 0.49
OPRM1 P35372 7/20 0.49
OPRK1 P41145 4/20 0.49
NPY2R P49146 1/20 0.42
KCNH2 Q12809 2/20 0.38
RAB9A P51151 1/20 0.38
LMNA P02545 1/20 0.37

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
SCHEMBL6601930 0.91 OPRD1 (0.53) OPRD1OPRM1OPRK1NPY2RKCNH2
SCHEMBL7196676 0.87 OPRD1 (0.48) OPRD1OPRM1OPRK1NPY2R
SCHEMBL6599410 0.83 OPRD1 (0.69) OPRD1OPRM1OPRK1
SCHEMBL6599241 0.80 OPRD1 (0.54) OPRD1OPRM1OPRK1
SCHEMBL7184056 0.80 OPRD1 (0.61) OPRD1OPRM1OPRK1
SCHEMBL7184062 0.78 OPRD1 (0.50) OPRD1OPRM1OPRK1KCNH2
SCHEMBL7184049 0.78 OPRD1 (0.53) OPRD1OPRM1OPRK1KCNH2
SCHEMBL7184052 0.75 OPRD1 (0.57) OPRD1OPRM1OPRK1
SCHEMBL6599707 0.70 OPRD1 (0.57) OPRD1OPRM1OPRK1
SCHEMBL5529656 0.69 OPRD1 (0.76) OPRD1OPRM1OPRK1KCNH2

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
US-6586431-B1 Treating drug abuse and drug dependence; nervous system and gastrointestinal disorders PFIZER INC 2003-07-01 US disclosed