SCHEMBL8416982

SCHEMBL8416982

CCOC(=O)C1(c2ccccc2)CCN(CCCc2ccccn2)CC1(c1ccccc1)c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KCNA3 P22001 1/20 0.51
POLB P06746 1/20 0.47
OPRD1 P41143 5/20 0.45
OPRM1 P35372 5/20 0.45
OPRK1 P41145 4/20 0.45
ALDH1A1 P00352 2/20 0.43
KDM4E B2RXH2 1/20 0.43
SLC22A1 O15245 1/20 0.43
SLC6A4 P31645 1/20 0.43
ADRA1A P35348 1/20 0.43
KCNH2 Q12809 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.42

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
Hydrochloric Acid SCHEMBL8419906 0.86 SIGMAR1 (0.41) OPRM1ADRA1AKCNH2L3MBTL1
SCHEMBL8416911 0.84 CYP1A2 (0.39) KCNA3OPRM1ADRA1AKCNH2
Potassium Ion SCHEMBL8416582 0.84 CYP1A2 (0.39) KCNA3OPRM1ADRA1AKCNH2
SCHEMBL8416635 0.76 LMNA (0.46) POLBOPRM1ADRA1AKCNH2
SCHEMBL7965697 0.75 KCNA3 (0.57) KCNA3OPRD1OPRM1OPRK1ADRA1A
SCHEMBL8419916 0.74 OPRM1 (0.39) OPRM1ADRA1AKCNH2
SCHEMBL7313939 0.68 KCNA3 (1.00) KCNA3OPRD1OPRM1OPRK1KDM4E
SCHEMBL6197539 0.67 KCNA3 (0.77) KCNA3OPRD1OPRM1OPRK1SLC22A1
SCHEMBL7083719 0.66 POLB (0.56) POLBALDH1A1KCNH2L3MBTL1
SCHEMBL11708747 0.66 KCNA3 (0.80) KCNA3OPRD1OPRM1OPRK1SLC22A1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5849762-A Peripherally acting anti-pruritic opiates ADOLOR CORPORATION (US) 1998-12-15 US claimed
US-5888494-A TOPICAL ADOLOR CORPORATION (US) 1999-03-30 US disclosed
US-5849762-A Peripherally acting anti-pruritic opiates ADOLOR CORPORATION (US) 1998-12-15 US disclosed
US-5849761-A Peripherally active anti-hyperalgesic opiates REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 1998-12-15 US disclosed