SCHEMBL5753952

SCHEMBL5753952

[CH2]C1(c2cccc(NC(=O)OC)c2)C2CN(CCCCCC)CC21

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 3/20 0.40
OPRD1 P41143 1/20 0.40
OPRK1 P41145 1/20 0.40
KCNH2 Q12809 1/20 0.40
DRD3 P35462 1/20 0.39
STS P08842 3/20 0.38
LMNA P02545 1/20 0.38
HPGD P15428 1/20 0.38
RAB9A P51151 1/20 0.38
CA2 P00918 1/20 0.38
CA9 Q16790 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
SCHEMBL5793250 0.90 OPRM1 (0.44) OPRM1OPRD1OPRK1KCNH2DRD3
SCHEMBL5753956 0.89 OPRM1 (0.51) OPRM1OPRD1OPRK1KCNH2DRD3
SCHEMBL5756507 0.84 OPRM1 (0.43) OPRM1OPRD1OPRK1KCNH2LMNA
SCHEMBL5756174 0.78 OPRM1 (0.53) OPRM1OPRD1OPRK1KCNH2DRD3
SCHEMBL5754560 0.75 OPRM1 (0.44) OPRM1OPRD1OPRK1KCNH2
SCHEMBL5757774 0.75 HTR1A (0.44) OPRM1OPRD1OPRK1KCNH2
SCHEMBL5757776 0.73 OPRM1 (0.46) OPRM1OPRD1OPRK1KCNH2
SCHEMBL5751494 0.71 OPRM1 (0.58) OPRM1OPRD1OPRK1KCNH2
SCHEMBL5753651 0.70 OPRM1 (0.61) OPRM1OPRD1OPRK1KCNH2
SCHEMBL5753749 0.70 OPRM1 (0.74) OPRM1OPRD1OPRK1KCNH2

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