SCHEMBL6971593

SCHEMBL6971593

O=C(NCCc1c[nH]cn1)c1c(CN2CCC(c3ccccc3)(c3ccccc3)CC2)ncn1Cc1ccc(Cl)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA1A P35348 3/20 0.40
ADRA2A P08913 2/20 0.40
ADRA2B P18089 2/20 0.40
ADRA2C P18825 2/20 0.40
ADRA1D P25100 2/20 0.40
ADRA1B P35368 2/20 0.40
CXCR3 P49682 1/20 0.36
EPHX1 P07099 1/20 0.36
EPHX2 P34913 1/20 0.36
OPRD1 P41143 3/20 0.36
OPRK1 P41145 2/20 0.36
MDM4 O15151 1/20 0.36
TP53 P04637 1/20 0.36
MDM2 Q00987 1/20 0.36
PRCP P42785 1/20 0.36
TNKS O95271 1/20 0.35
TNKS2 Q9H2K2 1/20 0.35
MCHR1 Q99705 2/20 0.35
CYP2D6 P10635 1/20 0.35
CHRM1 P11229 1/20 0.35

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
SCHEMBL6981402 0.88 ADRA1A (0.38) ADRA1AADRA2AADRA2BADRA2CADRA1D
SCHEMBL6965167 0.88 FPR3 (0.45) ADRA1AADRA2AADRA2BADRA2CADRA1D
SCHEMBL6979779 0.86 ADRA1A (0.41) ADRA1AADRA2AADRA2BADRA2CADRA1D
SCHEMBL6974465 0.85 ALDH1A1 (0.44) ADRA1AADRA2AADRA2BADRA2CADRA1D
SCHEMBL6975845 0.84 ADRA1A (0.42) ADRA1AADRA2AADRA2BADRA2CADRA1D
SCHEMBL6975294 0.84 ADRA1A (0.47) ADRA1AADRA2AADRA2BADRA2CADRA1D
SCHEMBL6969698 0.83 ALDH1A1 (0.51) EPHX2MDM4TP53MDM2MAOA
SCHEMBL6974540 0.83 OPRD1 (0.40) ADRA1AADRA2AADRA2BADRA2CADRA1D
SCHEMBL6971168 0.82 ADRA1A (0.44) ADRA1AADRA2AADRA2BADRA2CADRA1D
SCHEMBL6965116 0.82 ADRA1A (0.49) 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