SCHEMBL6965116

SCHEMBL6965116

COCCCNC(=O)c1c(CN2CCC(c3ccccc3)(c3ccccc3)CC2)ncn1Cc1ccc(Cl)cc1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ADRA1A P35348 11/20 0.49
ADRA1D P25100 10/20 0.49
ADRA1B P35368 10/20 0.49
ADRA2A P08913 9/20 0.49
ADRA2B P18089 9/20 0.49
ADRA2C P18825 9/20 0.49
OPRD1 P41143 4/20 0.42
OPRK1 P41145 3/20 0.42
KDM4E B2RXH2 1/20 0.42
MEN1 O00255 1/20 0.42
ALDH1A1 P00352 1/20 0.42
KMT2A Q03164 1/20 0.42
OPRL1 P41146 1/20 0.42
LMNA P02545 1/20 0.41
TDP1 Q9NUW8 1/20 0.38

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
SCHEMBL6975294 0.95 ADRA1A (0.47) ADRA1AADRA1DADRA1BADRA2AADRA2B
SCHEMBL6971168 0.90 ADRA1A (0.44) ADRA1AADRA1DADRA1BADRA2AADRA2B
SCHEMBL6975845 0.89 ADRA1A (0.42) ADRA1AADRA1DADRA1BADRA2AADRA2B
SCHEMBL6979779 0.89 ADRA1A (0.41) ADRA1AADRA1DADRA1BADRA2AADRA2B
SCHEMBL6978800 0.89 ADRA1A (0.43) ADRA1AADRA1DADRA1BADRA2AADRA2B
SCHEMBL6978058 0.89 ADRA1A (0.46) ADRA1AADRA1DADRA1BADRA2AADRA2B
SCHEMBL6972078 0.88 OPRL1 (0.45) ADRA1AADRA1DADRA1BADRA2AADRA2B
SCHEMBL6970337 0.88 ADRA1A (0.40) ADRA1AADRA1DADRA1BADRA2AADRA2B
SCHEMBL6974465 0.86 ALDH1A1 (0.44) ADRA1AADRA1DADRA1BADRA2AADRA2B
SCHEMBL6967490 0.86 OPRD1 (0.41) ADRA1AADRA1DADRA1BADRA2AADRA2B

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 8 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
EP-1202984-A1 NOVEL DIPHENYL-PIPERIDINE DERIVATE AstraZeneca UK Limited (GB) 2002-05-08 EP claimed
WO-2001005782-A1 NOVEL DIPHENYL-PIPERIDINE DERIVATE ASTRAZENECA UK LIMITED (GB) 2001-01-25 WO 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