SCHEMBL6701332

SCHEMBL6701332

N=C(N)N(C(N)=O)c1ccc(Br)c(Cl)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F13A1 P00488 1/20 0.40
TGM2 P21980 1/20 0.40
MAPT P10636 5/20 0.37
MEN1 O00255 7/20 0.36
KMT2A Q03164 7/20 0.36
LMNA P02545 4/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
HTT P42858 2/20 0.36
NPC1 O15118 2/20 0.36
HPGD P15428 4/20 0.35
ALOX15 P16050 2/20 0.35
ALOX12 P18054 2/20 0.35
ALDH1A1 P00352 4/20 0.34
GAA P10253 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
RAB9A P51151 2/20 0.32
PKM P14618 1/20 0.32
HTR3E A5X5Y0 1/20 0.32
HTR3B O95264 1/20 0.32
HTR3A P46098 1/20 0.32

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
SCHEMBL6697644 0.87 MAOB (0.32) F13A1TGM2KMT2AALDH1A1HTR3E
SCHEMBL6691676 0.85 NPFFR1 (0.31) CA1CA2
SCHEMBL6695957 0.85 IDO1 (0.38) MAPTMEN1KMT2ASMN1; SMN2ALOX15
SCHEMBL11135428 0.82 MAPT (0.42) F13A1TGM2MAPTMEN1KMT2A
SCHEMBL6694312 0.81 ALDH1A1 (0.42) MEN1KMT2ALMNASMN1; SMN2HTT
SCHEMBL11851274 0.80 F13A1 (0.43) F13A1TGM2MAPTMEN1KMT2A
SCHEMBL28509729 0.79 RORC (0.36) F13A1TGM2MAPTMEN1KMT2A
SCHEMBL6699639 0.77 PTGIR (0.33) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL6698613 0.77 SLC9A1 (0.36) LMNANPC1RAB9AMAOBCA1
SCHEMBL6899079 0.75 ALOX5 (0.41) F13A1TGM2MEN1KMT2ALMNA

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 49 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-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
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
US-4025652-A ANTIDIARRHEA AGENTS WILLIAM H. RORER, INC. (US) 1977-05-24 US claimed