SCHEMBL8419916

SCHEMBL8419916

COC(C)C1(c2ccccc2)CCN(CCCc2ccccn2)CC1(c1ccccc1)c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 4/20 0.39
OPRL1 P41146 1/20 0.39
SIGMAR1 Q99720 5/20 0.37
KCNH2 Q12809 1/20 0.37
TP53 P04637 3/20 0.35
MDM2 Q00987 1/20 0.34
DRD2 P14416 1/20 0.34
ADRA1D P25100 1/20 0.34
ADRA1A P35348 1/20 0.34
ADRA1B P35368 1/20 0.34

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
SCHEMBL8416635 0.76 LMNA (0.46) OPRM1OPRL1SIGMAR1KCNH2ADRA1D
Hydrochloric Acid SCHEMBL8419906 0.74 SIGMAR1 (0.41) OPRM1OPRL1SIGMAR1KCNH2ADRA1D
SCHEMBL8416982 0.74 KCNA3 (0.51) OPRM1KCNH2ADRA1A
Potassium Ion SCHEMBL8416582 0.73 CYP1A2 (0.39) OPRM1OPRL1SIGMAR1KCNH2ADRA1D
SCHEMBL8416911 0.73 CYP1A2 (0.39) OPRM1OPRL1SIGMAR1KCNH2ADRA1D
SCHEMBL7965697 0.71 KCNA3 (0.57) OPRM1ADRA1DADRA1AADRA1B
SCHEMBL7083719 0.68 POLB (0.56) SIGMAR1KCNH2
SCHEMBL5960435 0.66 HRH3 (0.50) SIGMAR1
SCHEMBL5714434 0.65 L3MBTL1 (0.63) SIGMAR1
SCHEMBL6892997 0.65 LMNA (0.53) OPRM1OPRL1SIGMAR1ADRA1DADRA1A

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