SCHEMBL6975840

SCHEMBL6975840

COC(=O)c1nc(CO)c[nH]1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.38
HTT P42858 1/20 0.37
BAZ2B Q9UIF8 1/20 0.36
BAZ2A Q9UIF9 1/20 0.36
ALDH1A1 P00352 7/20 0.35
KDM4E B2RXH2 4/20 0.35
HSD17B10 Q99714 3/20 0.35
LMNA P02545 1/20 0.35
F2 P00734 3/20 0.34
MAPT P10636 2/20 0.34
MAP2K1 Q02750 1/20 0.34
KMT2A Q03164 2/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2C9 P11712 1/20 0.34
HPGD P15428 1/20 0.34
NR4A2 P43354 1/20 0.33
CREBBP Q92793 1/20 0.33
NPC1 O15118 1/20 0.33
ALPL P05186 1/20 0.33
GCGR P47871 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
SCHEMBL3658794 0.88 NPSR1 (0.36) NPSR1BAZ2BBAZ2AALDH1A1KDM4E
SCHEMBL12457457 0.79 HASPIN (0.30)
SCHEMBL31588972 0.79 ALDH1A1 (0.34) NPSR1BAZ2BBAZ2AALDH1A1KDM4E
SCHEMBL7048570 0.79 NPSR1 (0.36) NPSR1HTTBAZ2BBAZ2AALDH1A1
SCHEMBL29956837 0.77 HCAR2 (0.33) NPSR1LMNA
SCHEMBL20744170 0.76 BRD4 (0.33) BAZ2BBAZ2AMAPTKMT2A
SCHEMBL162657 0.76 NPSR1 (0.41) NPSR1BAZ2BBAZ2AALDH1A1KDM4E
SCHEMBL28168679 0.76 KDM4E (0.44) NPSR1HTTBAZ2BBAZ2AALDH1A1
SCHEMBL6100678 0.76 MAPK1 (0.43) NPSR1BAZ2BBAZ2AALDH1A1KDM4E
SCHEMBL5788289 0.76 ALDH1A1 (0.39) NPSR1HTTALDH1A1KDM4EHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6566376-B1 For therapy of chemokine receptor related diseases and conditions such as rheumatoid arthritis, chronic obstructive pulmonary disease ASTRAZENECA UK LIMITED (GB) 2003-05-20 US disclosed
EP-1202984-B1 DIPHENYL-PIPERIDINE DERIVATE ASTRAZENECA UK LTD (GB) 2003-03-05 EP disclosed
EP-1202984-A1 NOVEL DIPHENYL-PIPERIDINE DERIVATE AstraZeneca UK Limited (GB) 2002-05-08 EP disclosed
WO-2001005782-A1 NOVEL DIPHENYL-PIPERIDINE DERIVATE ASTRAZENECA UK LIMITED (GB) 2001-01-25 WO disclosed