SCHEMBL6892997

SCHEMBL6892997

OC1(Cc2ccccc2)CCN(CCCc2ccccn2)CC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.53
GAA P10253 1/20 0.53
SIGMAR1 Q99720 2/20 0.50
HTR1D P28221 1/20 0.48
HTR1B P28222 1/20 0.48
POLB P06746 1/20 0.48
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
OPRM1 P35372 1/20 0.45
OPRD1 P41143 1/20 0.45
OPRK1 P41145 1/20 0.45
OPRL1 P41146 1/20 0.45
SLC6A2 P23975 1/20 0.45
SLC6A4 P31645 1/20 0.45
SLC6A3 Q01959 1/20 0.45
CCR5 P51681 1/20 0.45
UTS2R Q9UKP6 2/20 0.44
CCR1 P32246 1/20 0.44
GRIN2D O15399 1/20 0.44
GRIN3B O60391 1/20 0.44

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
SCHEMBL7247628 0.84 SIGMAR1 (0.68) SIGMAR1POLBMEN1KMT2A
Hydrochloric Acid SCHEMBL7246143 0.83 SIGMAR1 (0.67) SIGMAR1POLBMEN1KMT2A
SCHEMBL7083719 0.79 POLB (0.56) SIGMAR1POLB
SCHEMBL8084478 0.79 SIGMAR1 (0.62) SIGMAR1MEN1KMT2AOPRM1
SCHEMBL7246663 0.78 OPRM1 (0.54) SIGMAR1HTR1DHTR1BMEN1KMT2A
SCHEMBL27442941 0.78 GRIN2D (0.62) SIGMAR1MEN1KMT2AGRIN2DGRIN3B
SCHEMBL7245996 0.78 SLC6A3 (0.58) SIGMAR1OPRM1OPRD1OPRK1OPRL1
SCHEMBL16256958 0.77 OPRM1 (0.55) SIGMAR1OPRM1OPRD1OPRK1OPRL1
Hydrochloric Acid SCHEMBL7248307 0.77 SLC6A3 (0.56) SIGMAR1OPRM1OPRD1OPRK1OPRL1
SCHEMBL6207790 0.76 GRIN2D (0.57) LMNASIGMAR1MEN1KMT2AOPRM1

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 26 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0888141-B1 FILM-FORMING COMPOSITIONS OF ANTIHYPERALGESIC OPIATES AND THEIR USE FOR TREATING HYPERALGESIC CONDITIONS THEREWITH ADOLOR CORP (US) 2004-05-26 EP claimed
EP-1019051-A4 PERIPHERALLY ACTING ANTI-PRURITIC OPIATES ADOLOR CORP (US) 2003-05-28 EP claimed
EP-1119354-A4 PERIPHERALLY ACTING ANTI-PRURITIC OPIATES ADOLOR CORP (US) 2003-02-12 EP claimed
JP-2002527392-A 2002-08-27 JP claimed
US-6353004-B1 TREATMENT OF PRUTITIC CONDITION IN VAGINA ADOLOR COPORATION 2002-03-05 US claimed
EP-1119354-A1 PERIPHERALLY ACTING ANTI-PRURITIC OPIATES Adolor Corporation (US) 2001-08-01 EP claimed
JP-2001510157-A 2001-07-31 JP claimed
EP-1019051-A1 PERIPHERALLY ACTING ANTI-PRURITIC OPIATES Adolor Corporation (US) 2000-07-19 EP claimed
EP-1003489-A1 FILM-FORMING COMPOSITIONS OF ANTIHYPERALGESIC OPIATES AND METHOD OF TREATING HYPERALGESIC AND PRURITIC CONDITIONS THEREWITH Adolor Corporation (US) 2000-05-31 EP claimed
WO-2000021530-A1 PERIPHERALLY ACTING ANTI-PRURITIC OPIATES ADOLOR CORPORATION (US) 2000-04-20 WO claimed
WO-1999003472-A1 PERIPHERALLY ACTING ANTI-PRURITIC OPIATES ADOLOR CORPORATION (US) 1999-01-28 WO claimed
WO-1999003455-A1 FILM-FORMING COMPOSITIONS OF ANTIHYPERALGESIC OPIATES AND METHOD OF TREATING HYPERALGESIC AND PRURITIC CONDITIONS THEREWITH ADOLOR CORPORATION (US) 1999-01-28 WO claimed
US-5667773-A Film-forming compositions of antihyperalgesic opiates and method of treating hyperalgesic conditions therewith ADOLOR CORPORATION (US) 1997-09-16 US claimed
US-4116963-A ANTIDIARRHEAL, CENTRAL NERVOUS SYSTEM PROPERTIES G.D. SEARLE & CO. (US) 1978-09-26 US claimed
US-6576650-B1 No central nervous system side effects REGENTS OF THE UNIVERSITY OF CALIFORNIA 2003-06-10 US disclosed
EP-1019051-A4 PERIPHERALLY ACTING ANTI-PRURITIC OPIATES ADOLOR CORP (US) 2003-05-28 EP disclosed
EP-1119354-A4 PERIPHERALLY ACTING ANTI-PRURITIC OPIATES ADOLOR CORP (US) 2003-02-12 EP disclosed
WO-1999003472-A1 PERIPHERALLY ACTING ANTI-PRURITIC OPIATES ADOLOR CORPORATION (US) 1999-01-28 WO disclosed
EP-0888141-A1 FILM-FORMING COMPOSITIONS OF ANTIHYPERALGESIC OPIATES AND METHOD OF TREATING HYPERALGESIC CONDITIONS THEREWITH Adolor Corporation (US) 1999-01-07 EP disclosed
WO-1997033634-A1 FILM-FORMING COMPOSITIONS OF ANTIHYPERALGESIC OPIATES AND METHOD OF TREATING HYPERALGESIC CONDITIONS THEREWITH ADOLOR CORPORATION (US) 1997-09-18 WO disclosed