SCHEMBL6690739

SCHEMBL6690739

Cc1c(N)cccc1NC1=NCCC1

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 3/20 0.54
ADRA2B P18089 3/20 0.54
ADRA2C P18825 3/20 0.54
POLB P06746 2/20 0.49
KMT2A Q03164 1/20 0.43
MAPT P10636 1/20 0.42
NISCH Q9Y2I1 1/20 0.40
LMNA P02545 2/20 0.40
ALDH1A1 P00352 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
USP2 O75604 1/20 0.40
CYP3A4 P08684 1/20 0.39
TSHR P16473 1/20 0.39
PIK3CA P42336 1/20 0.39

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 SCHEMBL6892538 0.98 ADRA2A (0.53) ADRA2AADRA2BADRA2CPOLBKMT2A
SCHEMBL6056 0.84 POLB (0.59) ADRA2AADRA2BADRA2CPOLBKMT2A
SCHEMBL5565 0.81 ADRA2A (0.54) ADRA2AADRA2BADRA2CPOLBKMT2A
SCHEMBL5784 0.81 ADRA2A (0.71) ADRA2AADRA2BADRA2CPOLBKMT2A
SCHEMBL10857050 0.81 ADRA2A (0.54) ADRA2AADRA2BADRA2CPOLBKMT2A
SCHEMBL5896 0.81 ADRA2A (0.54) ADRA2AADRA2BADRA2CPOLBKMT2A
Hydrochloric Acid SCHEMBL10368158 0.80 ADRA2A (0.53) ADRA2AADRA2BADRA2CPOLBKMT2A
SCHEMBL6399 0.79 ADRA2A (0.51) ADRA2AADRA2BADRA2CPOLBKMT2A
SCHEMBL6475 0.78 ADRA2A (0.62) ADRA2AADRA2BADRA2CPOLBKMT2A
SCHEMBL6021 0.77 ADRA2A (0.65) ADRA2AADRA2BADRA2CPOLBKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-3553083-B2 2004-08-11 JP claimed
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-0888141-A4 FILM-FORMING COMPOSITIONS OF ANTIHYPERALGESIC OPIATES AND METHOD OF TREATING HYPERALGESIC CONDITIONS THEREWITH ADOLOR CORP (US) 2001-01-17 EP claimed
EP-1019051-A1 PERIPHERALLY ACTING ANTI-PRURITIC OPIATES Adolor Corporation (US) 2000-07-19 EP claimed
WO-1999003472-A1 PERIPHERALLY ACTING ANTI-PRURITIC OPIATES ADOLOR CORPORATION (US) 1999-01-28 WO claimed
EP-0888141-A1 FILM-FORMING COMPOSITIONS OF ANTIHYPERALGESIC OPIATES AND METHOD OF TREATING HYPERALGESIC CONDITIONS THEREWITH Adolor Corporation (US) 1999-01-07 EP claimed
US-5849762-A Peripherally acting anti-pruritic opiates ADOLOR CORPORATION (US) 1998-12-15 US claimed
EP-0852494-A2 PERIPHERALLY ACTIVE ANTI-HYPERALGESIC OPIATES THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 1998-07-15 EP claimed
WO-1997033634-A1 FILM-FORMING COMPOSITIONS OF ANTIHYPERALGESIC OPIATES AND METHOD OF TREATING HYPERALGESIC CONDITIONS THEREWITH ADOLOR CORPORATION (US) 1997-09-18 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
WO-1997009973-A2 PERIPHERALLY ACTIVE ANTI-HYPERALGESIC OPIATES THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 1997-03-20 WO claimed
EP-0111095-B1 AROMATIC SUBSTITUTED CYCLIC AMIDINES G.D. Searle & Co. (US) 1986-12-17 EP claimed
US-4533739-A 2-[(Aminophenyl and amidophenyl)amino]-1-azacycloalkanes having antidiarrheal activity G. D. SEARLE & CO. (US) 1985-08-06 US claimed
EP-0111095-A1 Aromatic substituted cyclic amidines G.D. Searle & Co. (US) 1984-06-20 EP claimed