SCHEMBL6975845

SCHEMBL6975845

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

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ADRA1A P35348 2/20 0.42
ADRA2A P08913 1/20 0.42
ADRA2B P18089 1/20 0.42
ADRA2C P18825 1/20 0.42
ADRA1D P25100 1/20 0.42
ADRA1B P35368 1/20 0.42
OPRD1 P41143 10/20 0.40
OPRK1 P41145 7/20 0.40
DRD2 P14416 1/20 0.38
DRD4 P21917 1/20 0.38
DRD3 P35462 1/20 0.38
EPHX1 P07099 1/20 0.38
EPHX2 P34913 1/20 0.38
EGLN1 Q9GZT9 1/20 0.38
OPRL1 P41146 1/20 0.38
MAOA P21397 1/20 0.37
MAOB P27338 1/20 0.37
CHRM4 P08173 1/20 0.37
CCR3 P51677 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 0.91 ADRA1A (0.41) ADRA1AADRA2AADRA2BADRA2CADRA1D
SCHEMBL6975294 0.90 ADRA1A (0.47) ADRA1AADRA2AADRA2BADRA2CADRA1D
SCHEMBL6965116 0.89 ADRA1A (0.49) ADRA1AADRA2AADRA2BADRA2CADRA1D
SCHEMBL6971168 0.89 ADRA1A (0.44) ADRA1AADRA2AADRA2BADRA2CADRA1D
SCHEMBL6974465 0.89 ALDH1A1 (0.44) ADRA1AADRA2AADRA2BADRA2CADRA1D
SCHEMBL6967490 0.88 OPRD1 (0.41) ADRA1AADRA2AADRA2BADRA2CADRA1D
SCHEMBL6974750 0.88 OPRD1 (0.40) ADRA1AADRA2AADRA2BADRA2CADRA1D
SCHEMBL6974540 0.88 OPRD1 (0.40) ADRA1AADRA2AADRA2BADRA2CADRA1D
SCHEMBL6978800 0.88 ADRA1A (0.43) ADRA1AADRA2AADRA2BADRA2CADRA1D
SCHEMBL6981273 0.87 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 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 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