SCHEMBL6974465

SCHEMBL6974465

O=C(NCCN1CCCC1)c1c(CN2CCC(c3ccccc3)(c3ccccc3)CC2)ncn1Cc1ccc(Cl)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.44
ADRA1A P35348 2/20 0.43
ADRA2A P08913 1/20 0.43
ADRA2B P18089 1/20 0.43
ADRA2C P18825 1/20 0.43
ADRA1D P25100 1/20 0.43
ADRA1B P35368 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
GAA P10253 1/20 0.43
BCHE P06276 1/20 0.42
ACHE P22303 1/20 0.42
MDM4 O15151 1/20 0.42
TP53 P04637 1/20 0.42
MDM2 Q00987 1/20 0.42
CYP2D6 P10635 2/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C19 P33261 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
CACNA1G O43497 2/20 0.41
CCR1 P32246 1/20 0.40

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
SCHEMBL6969698 0.93 ALDH1A1 (0.51) ALDH1A1SMN1; SMN2MDM4TP53MDM2
SCHEMBL6979779 0.90 ADRA1A (0.41) ADRA1AADRA2AADRA2BADRA2CADRA1D
SCHEMBL6975845 0.89 ADRA1A (0.42) ADRA1AADRA2AADRA2BADRA2CADRA1D
SCHEMBL6975294 0.88 ADRA1A (0.47) ADRA1AADRA2AADRA2BADRA2CADRA1D
SCHEMBL6974540 0.87 OPRD1 (0.40) ADRA1AADRA2AADRA2BADRA2CADRA1D
SCHEMBL6971168 0.86 ADRA1A (0.44) ADRA1AADRA2AADRA2BADRA2CADRA1D
SCHEMBL6965116 0.86 ADRA1A (0.49) ALDH1A1ADRA1AADRA2AADRA2BADRA2C
SCHEMBL6980217 0.86 ACHE (0.43) ALDH1A1ADRA1AADRA2AADRA2BADRA2C
SCHEMBL6970337 0.86 ADRA1A (0.40) ADRA1AADRA2AADRA2BADRA2CADRA1D
SCHEMBL6965167 0.86 FPR3 (0.45) ALDH1A1ADRA1AADRA2AADRA2BADRA2C

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
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