SCHEMBL6699646

SCHEMBL6699646

N=C(N)N(C(=O)NF)c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.36
PLAU P00749 1/20 0.35
ALDH1A1 P00352 1/20 0.34
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
MEN1 O00255 2/20 0.33
KMT2A Q03164 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
F10 P00742 1/20 0.33
F12 P00748 1/20 0.33
F7 P08709 1/20 0.33
F3 P13726 1/20 0.33
PKM P14618 1/20 0.33
POLB P06746 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
Hydrochloric Acid SCHEMBL10729162 0.82 NPSR1 (0.36) NPSR1PLAUALDH1A1MEN1KMT2A
SCHEMBL28515349 0.82 NPSR1 (0.36) NPSR1PLAUALDH1A1MEN1KMT2A
SCHEMBL11238745 0.82 LMNA (0.38) NPSR1PLAUALDH1A1HTR3EHTR3B
SCHEMBL6695686 0.82 NPSR1 (0.36) NPSR1PLAUALDH1A1MEN1KMT2A
SCHEMBL6691763 0.82 NPSR1 (0.36) NPSR1PLAUALDH1A1HTR3EHTR3B
SCHEMBL3066412 0.81 MEN1 (0.50) NPSR1PLAUALDH1A1MEN1KMT2A
SCHEMBL3073692 0.79 ALDH1A1 (0.45) NPSR1PLAUALDH1A1MEN1KMT2A
SCHEMBL7361311 0.79 NPSR1 (0.43) NPSR1PLAUALDH1A1MEN1KMT2A
SCHEMBL6694938 0.78 OPRM1 (0.42) PLAUALDH1A1MEN1KMT2AL3MBTL1
SCHEMBL458998 0.78 ALDH1A1 (0.46) NPSR1PLAUALDH1A1HTR3EHTR3B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-3553083-B2 2004-08-11 JP 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