SCHEMBL6898368

SCHEMBL6898368

CC(=O)Nc1cccc(NC2=NCCC2)c1C

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 1/20 0.49
ADRA2B P18089 1/20 0.49
ADRA2C P18825 1/20 0.49
POLB P06746 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.42
ALDH1A1 P00352 3/20 0.41
HPGD P15428 1/20 0.41
SCN9A Q15858 2/20 0.40
KMT2A Q03164 1/20 0.40
LMNA P02545 1/20 0.39
KDM4E B2RXH2 1/20 0.39
MAPT P10636 1/20 0.38

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 SCHEMBL6898129 0.99 ADRA2A (0.48) ADRA2AADRA2BADRA2CPOLBSMN1; SMN2
SCHEMBL6699627 0.83 ALDH1A1 (0.53) ADRA2AADRA2BADRA2CPOLBSMN1; SMN2
Hydrochloric Acid SCHEMBL6900280 0.82 ALDH1A1 (0.52) ADRA2AADRA2BADRA2CPOLBSMN1; SMN2
SCHEMBL10853919 0.80 ADRA2A (0.46) ADRA2AADRA2BADRA2CPOLBSMN1; SMN2
SCHEMBL10857050 0.80 ADRA2A (0.54) ADRA2AADRA2BADRA2CPOLBSMN1; SMN2
SCHEMBL6056 0.79 POLB (0.59) ADRA2AADRA2BADRA2CPOLBSMN1; SMN2
Hydrochloric Acid SCHEMBL10369502 0.79 ADRA2A (0.45) ADRA2AADRA2BADRA2CPOLBSMN1; SMN2
Hydrochloric Acid SCHEMBL10368158 0.78 ADRA2A (0.53) ADRA2AADRA2BADRA2CPOLBSMN1; SMN2
SCHEMBL6690739 0.77 ADRA2A (0.54) ADRA2AADRA2BADRA2CPOLBSMN1; SMN2
SCHEMBL5565 0.77 ADRA2A (0.54) ADRA2AADRA2BADRA2CPOLBSMN1; SMN2

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 40 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-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
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-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
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
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
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