SCHEMBL7744512

SCHEMBL7744512

O=C(N1CCCC1)C(CCN1CCC(O)(c2ccccc2)CC1)(c1ccccc1)c1ccccc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 12/20 0.66
OPRL1 P41146 6/20 0.59
ADRA2A P08913 3/20 0.59
DRD4 P21917 3/20 0.59
SLC6A4 P31645 3/20 0.59
SIGMAR1 Q99720 3/20 0.59
HRH2 P25021 2/20 0.59
ADRA1A P35348 2/20 0.59
KCNH2 Q12809 2/20 0.59
SCN5A Q14524 2/20 0.59
MEN1 O00255 2/20 0.59
LMNA P02545 2/20 0.59
ADRB2 P07550 2/20 0.59
OPRD1 P41143 2/20 0.59
OPRK1 P41145 2/20 0.59
HTR2B P41595 2/20 0.59
SLC6A3 Q01959 2/20 0.59
KMT2A Q03164 2/20 0.59
SMN1; SMN2 Q16637 2/20 0.59
DRD2 P14416 2/20 0.59

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
SCHEMBL6695001 0.99 OPRM1 (0.65) OPRM1OPRL1ADRA2ADRD4SLC6A4
Hydrochloric Acid SCHEMBL7738855 0.98 OPRM1 (0.64) OPRM1OPRL1ADRA2ADRD4SLC6A4
SCHEMBL6662792 0.88 OPRM1 (0.55) OPRM1OPRL1ADRA2ADRD4SLC6A4
SCHEMBL6694942 0.87 OPRM1 (0.65) OPRM1OPRL1ADRA2ADRD4SLC6A4
SCHEMBL6664282 0.81 OPRM1 (0.48) OPRM1OPRL1ADRA2ADRD4SLC6A4
SCHEMBL6701358 0.81 OPRM1 (0.76) OPRM1OPRL1ADRA2ADRD4SLC6A4
Desmethylmoramide SCHEMBL2111155 0.80 OPRM1 (0.68) OPRM1KCNH2MEN1LMNAOPRD1
SCHEMBL14580936 0.80 OPRM1 (1.00) OPRM1OPRL1ADRA2ADRD4SLC6A4
SCHEMBL11611247 0.78 KCNA3 (0.69) OPRM1OPRL1ADRA2ADRD4SLC6A4
SCHEMBL7760719 0.78 OPRM1 (0.47) OPRM1OPRL1ADRA2ADRD4SLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5811078-A IN A SOLVENT MIXTURE WITH ETHYL OR ISOPROPYL ALCOHOL AND WATER ADOLOR CORPORATION (US) 1998-09-22 US claimed
US-5798093-A ADMINISTERING WITH AN ALCOHOL-WATER MIXTURE ADOLOR CORPORATION (US) 1998-08-25 US claimed
EP-1011647-A4 SPRAY FORMULATIONS OF ANTIHYPERALGESIC OPIATES AND METHOD OF TREATING TOPICAL HYPERALGESIC CONDITIONS AND PRURITUS THEREWITH ADOLOR CORP (US) 2001-05-16 EP disclosed
EP-1011647-A1 SPRAY FORMULATIONS OF ANTIHYPERALGESIC OPIATES AND METHOD OF TREATING TOPICAL HYPERALGESIC CONDITIONS AND PRURITUS THEREWITH Adolor Corporation (US) 2000-06-28 EP disclosed
WO-1999003457-A1 SPRAY FORMULATIONS OF ANTIHYPERALGESIC OPIATES AND METHOD OF TREATING TOPICAL HYPERALGESIC CONDITIONS AND PRURITUS THEREWITH ADOLOR CORPORATION (US) 1999-01-28 WO disclosed
US-5811078-A IN A SOLVENT MIXTURE WITH ETHYL OR ISOPROPYL ALCOHOL AND WATER ADOLOR CORPORATION (US) 1998-09-22 US disclosed
US-5798093-A ADMINISTERING WITH AN ALCOHOL-WATER MIXTURE ADOLOR CORPORATION (US) 1998-08-25 US disclosed