SCHEMBL5757776

SCHEMBL5757776

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

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 11/20 0.46
OPRK1 P41145 3/20 0.46
KCNH2 Q12809 3/20 0.46
OPRD1 P41143 2/20 0.46
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
UBE2M P61081 1/20 0.38
DCUN1D1 Q96GG9 1/20 0.38
HTR1A P08908 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
SCHEMBL5754560 0.85 OPRM1 (0.44) OPRM1OPRK1KCNH2OPRD1UBE2M
SCHEMBL5756174 0.84 OPRM1 (0.53) OPRM1OPRK1KCNH2OPRD1HTR1A
SCHEMBL5757774 0.81 HTR1A (0.44) OPRM1OPRK1KCNH2OPRD1UBE2M
SCHEMBL5754361 0.77 OPRM1 (0.64) OPRM1OPRK1KCNH2OPRD1
SCHEMBL5753956 0.74 OPRM1 (0.51) OPRM1OPRK1KCNH2OPRD1
SCHEMBL5756317 0.74 OPRM1 (0.63) OPRM1OPRK1KCNH2OPRD1
SCHEMBL6654874 0.74 OPRM1 (0.73) OPRM1OPRK1OPRD1
SCHEMBL6654876 0.74 OPRM1 (0.73) OPRM1OPRK1OPRD1
SCHEMBL5755126 0.74 OPRM1 (0.71) OPRM1OPRK1KCNH2OPRD1
SCHEMBL5756426 0.74 OPRM1 (0.60) OPRM1OPRK1KCNH2OPRD1HTR1A

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