SCHEMBL6971045

SCHEMBL6971045

OCc1c[nH]c(Cc2ccc(Cl)cc2)n1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 1/20 0.41
NOTUM Q6P988 2/20 0.41
MAPT P10636 2/20 0.39
PRNP P04156 1/20 0.39
HSP90AB1 P08238 1/20 0.39
DAO P14920 1/20 0.38
NPC1 O15118 1/20 0.37
LMNA P02545 1/20 0.37
TP53 P04637 1/20 0.37
RAB9A P51151 1/20 0.37
GABRA1 P14867 1/20 0.36
GABRB2 P47870 1/20 0.36
TYMP P19971 1/20 0.36
TKT P29401 1/20 0.36

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
SCHEMBL4450908 0.83 NR1H2 (0.45) NR1H2DAONPC1RAB9A
SCHEMBL2868952 0.78 NR1H2 (0.45) NR1H2NOTUMMAPTPRNPDAO
SCHEMBL2872354 0.74 NR1H2 (0.49) NR1H2MAPTPRNPNPC1LMNA
SCHEMBL2865654 0.74 NR1H2 (0.39) NR1H2MAPTPRNPHSP90AB1DAO
SCHEMBL23778736 0.74 NOTUM (0.45) NR1H2NOTUMMAPTNPC1RAB9A
SCHEMBL3099997 0.73
SCHEMBL3840210 0.72 HSP90AB1 (0.45) MAPTPRNPHSP90AB1DAONPC1
SCHEMBL11291862 0.72 TAAR1 (0.49)
SCHEMBL2871695 0.72 NR1H2 (0.40) NR1H2MAPTPRNPHSP90AB1LMNA
SCHEMBL2872342 0.72 GAA (0.51) NR1H2NOTUMMAPTPRNPDAO

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