SCHEMBL5757774

SCHEMBL5757774

CCCCCCN1CC2C(C1)C2(c1cccc(NC(C)=O)c1)C(C)C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 6/20 0.44
OPRM1 P35372 4/20 0.43
OPRK1 P41145 2/20 0.43
KCNH2 Q12809 5/20 0.42
TSHR P16473 1/20 0.42
HSD17B10 Q99714 1/20 0.42
HTR7 P34969 2/20 0.39
SIGMAR1 Q99720 1/20 0.39
OPRD1 P41143 1/20 0.38
UBE2M P61081 1/20 0.38
DCUN1D1 Q96GG9 1/20 0.38

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
SCHEMBL5756174 0.84 OPRM1 (0.53) HTR1AOPRM1OPRK1KCNH2TSHR
SCHEMBL5793250 0.83 OPRM1 (0.44) HTR1AOPRM1OPRK1KCNH2TSHR
SCHEMBL5754560 0.83 OPRM1 (0.44) HTR1AOPRM1OPRK1KCNH2OPRD1
SCHEMBL5757776 0.81 OPRM1 (0.46) HTR1AOPRM1OPRK1KCNH2OPRD1
SCHEMBL5753440 0.77 OPRM1 (0.57) HTR1AOPRM1OPRK1KCNH2HTR7
SCHEMBL5753956 0.76 OPRM1 (0.51) OPRM1OPRK1KCNH2OPRD1
SCHEMBL5756507 0.76 OPRM1 (0.43) OPRM1OPRK1KCNH2OPRD1UBE2M
SCHEMBL5753952 0.75 OPRM1 (0.40) OPRM1OPRK1KCNH2OPRD1
SCHEMBL6654876 0.74 OPRM1 (0.73) OPRM1OPRK1OPRD1
SCHEMBL6654874 0.74 OPRM1 (0.73) OPRM1OPRK1OPRD1

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-1140828-B1 3-AZABICYCLO¬3.1.0|HEXANE DERIVATIVES AS OPIATE RECEPTORS LIGANDS PFIZER LTD (GB) 2006-08-09 EP claimed