SCHEMBL5757015

SCHEMBL5757015

CC12CN(CC=CC3CCCCC3)CC1C2c1cccc(NS(C)(=O)=O)c1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 12/20 0.40
KCNH2 Q12809 5/20 0.39
OPRD1 P41143 3/20 0.39
OPRK1 P41145 2/20 0.39
HRH3 Q9Y5N1 1/20 0.35
GRIA2 P42262 2/20 0.33
KDM4E B2RXH2 2/20 0.33
ALDH1A1 P00352 2/20 0.33
LMNA P02545 2/20 0.33
MEN1 O00255 1/20 0.33
POLB P06746 1/20 0.33
RECQL P46063 1/20 0.33
KMT2A Q03164 1/20 0.33
FYN P06241 1/20 0.32

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
SCHEMBL5757007 1.00 OPRM1 (0.40) OPRM1KCNH2OPRD1OPRK1HRH3
SCHEMBL5755267 0.81 OPRM1 (0.58) OPRM1KCNH2OPRD1OPRK1
SCHEMBL5755274 0.81 OPRM1 (0.58) OPRM1KCNH2OPRD1OPRK1
SCHEMBL6655630 0.76 OPRD1 (0.47) OPRM1OPRD1OPRK1
SCHEMBL6655635 0.76 OPRD1 (0.47) OPRM1OPRD1OPRK1
SCHEMBL5754460 0.64 OPRM1 (0.61) OPRM1KCNH2OPRD1OPRK1GRIA2
SCHEMBL5754470 0.64 OPRM1 (0.61) OPRM1KCNH2OPRD1OPRK1GRIA2
SCHEMBL5752550 0.64 OPRM1 (0.66) OPRM1KCNH2OPRD1OPRK1LMNA
SCHEMBL5754154 0.64 OPRM1 (0.68) OPRM1KCNH2OPRD1OPRK1MEN1
SCHEMBL5752558 0.64 OPRM1 (0.66) OPRM1KCNH2OPRD1OPRK1LMNA

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