SCHEMBL6978800

SCHEMBL6978800

CCN(CC)CCCNC(=O)c1c(CN2CCC(c3ccccc3)(c3ccccc3)CC2)ncn1Cc1ccc(Cl)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA1A P35348 3/20 0.43
ADRA2A P08913 2/20 0.43
ADRA2B P18089 2/20 0.43
ADRA2C P18825 2/20 0.43
ADRA1D P25100 2/20 0.43
ADRA1B P35368 2/20 0.43
LMNA P02545 3/20 0.39
TP53 P04637 2/20 0.39
MAPT P10636 2/20 0.39
OPRD1 P41143 4/20 0.39
OPRK1 P41145 1/20 0.39
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
ALDH1A1 P00352 3/20 0.37
MAPK1 P28482 2/20 0.37
KDM4E B2RXH2 1/20 0.37
POLB P06746 1/20 0.37
HPGD P15428 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
HSD17B10 Q99714 1/20 0.37

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
SCHEMBL6979779 0.89 ADRA1A (0.41) ADRA1AADRA2AADRA2BADRA2CADRA1D
SCHEMBL6965116 0.89 ADRA1A (0.49) ADRA1AADRA2AADRA2BADRA2CADRA1D
SCHEMBL6975845 0.88 ADRA1A (0.42) ADRA1AADRA2AADRA2BADRA2CADRA1D
SCHEMBL6976571 0.87 ADRA1A (0.40) ADRA1AADRA2AADRA2BADRA2CADRA1D
SCHEMBL6975294 0.87 ADRA1A (0.47) ADRA1AADRA2AADRA2BADRA2CADRA1D
SCHEMBL6971168 0.85 ADRA1A (0.44) ADRA1AADRA2AADRA2BADRA2CADRA1D
SCHEMBL6974465 0.85 ALDH1A1 (0.44) ADRA1AADRA2AADRA2BADRA2CADRA1D
SCHEMBL6970337 0.85 ADRA1A (0.40) ADRA1AADRA2AADRA2BADRA2CADRA1D
SCHEMBL6967490 0.84 OPRD1 (0.41) ADRA1AADRA2AADRA2BADRA2CADRA1D
SCHEMBL6974750 0.84 OPRD1 (0.40) ADRA1AADRA2AADRA2BADRA2CADRA1D

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 6 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 claimed
EP-1202984-B1 DIPHENYL-PIPERIDINE DERIVATE ASTRAZENECA UK LTD (GB) 2003-03-05 EP claimed
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