SCHEMBL5879332

SCHEMBL5879332

CCN(CC)C(=O)c1ccc(N(NC(=O)c2ccc(F)cc2)C2CCN(Cc3ccccc3)CC2)cc1

nearest known ligand 0.62

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 19/20 0.62
OPRM1 P35372 16/20 0.62
OPRK1 P41145 13/20 0.62
SLC6A12 P48065 1/20 0.55
TMEM97 Q5BJF2 1/20 0.55
MCHR1 Q99705 1/20 0.55
SIGMAR1 Q99720 1/20 0.55

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
SCHEMBL5879340 0.87 OPRD1 (0.51) OPRD1OPRM1OPRK1
SCHEMBL6394863 0.80 OPRD1 (0.88) OPRD1OPRM1OPRK1
SCHEMBL5879400 0.78 OPRD1 (0.69) OPRD1OPRM1OPRK1
SCHEMBL6865749 0.77 OPRD1 (0.83) OPRD1OPRM1OPRK1
Hydrochloric Acid SCHEMBL9785691 0.77 CHRM3 (0.78) OPRD1OPRM1OPRK1
SCHEMBL6870724 0.76 OPRD1 (0.77) OPRD1OPRM1OPRK1
SCHEMBL5879329 0.76 OPRD1 (0.81) OPRD1OPRM1OPRK1
SCHEMBL6326841 0.75 OPRD1 (0.84) OPRD1OPRM1OPRK1
SCHEMBL6325559 0.75 OPRD1 (0.74) OPRD1OPRM1OPRK1
SCHEMBL6395178 0.74 OPRD1 (0.78) OPRD1OPRM1OPRK1

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-7064137-B2 Analgesics; anxiolytic agents; gastrointestinal disorders ASTRAZENECA AB (SE) 2006-06-20 US disclosed