SCHEMBL6691763

SCHEMBL6691763

N=C(N)N(C(=O)NCl)c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.36
ALDH1A1 P00352 3/20 0.35
KMT2A Q03164 3/20 0.35
POLB P06746 2/20 0.35
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
HTT P42858 1/20 0.35
PLAU P00749 1/20 0.35
HTR3E A5X5Y0 1/20 0.34
HTR3B O95264 1/20 0.34
HTR3A P46098 1/20 0.34
HTR3D Q70Z44 1/20 0.34
HTR3C Q8WXA8 1/20 0.34
MAPT P10636 2/20 0.33
HSD17B10 Q99714 2/20 0.33
MEN1 O00255 2/20 0.33
BLM P54132 2/20 0.33
TDP1 Q9NUW8 2/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
F2 P00734 1/20 0.33

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
SCHEMBL6695686 0.82 NPSR1 (0.36) NPSR1ALDH1A1KMT2APOLBNPC1
Hydrochloric Acid SCHEMBL10729162 0.82 NPSR1 (0.36) NPSR1ALDH1A1KMT2APOLBNPC1
SCHEMBL11238745 0.82 LMNA (0.38) NPSR1ALDH1A1KMT2APLAUHTR3E
SCHEMBL6699646 0.82 NPSR1 (0.36) NPSR1ALDH1A1KMT2APOLBRAB9A
SCHEMBL28515349 0.82 NPSR1 (0.36) NPSR1ALDH1A1KMT2APOLBRAB9A
SCHEMBL3066412 0.81 MEN1 (0.50) NPSR1ALDH1A1KMT2ANPC1RAB9A
SCHEMBL7361311 0.79 NPSR1 (0.43) NPSR1ALDH1A1KMT2APOLBNPC1
SCHEMBL3073692 0.79 ALDH1A1 (0.45) NPSR1ALDH1A1KMT2APOLBNPC1
SCHEMBL6694938 0.78 OPRM1 (0.42) ALDH1A1KMT2APLAUMEN1L3MBTL1
SCHEMBL458998 0.78 ALDH1A1 (0.46) NPSR1ALDH1A1KMT2APLAUHTR3E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-3553083-B2 2004-08-11 JP 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
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
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
EP-0852494-A2 PERIPHERALLY ACTIVE ANTI-HYPERALGESIC OPIATES THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 1998-07-15 EP claimed
WO-1997009973-A2 PERIPHERALLY ACTIVE ANTI-HYPERALGESIC OPIATES THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 1997-03-20 WO claimed