SCHEMBL6965167

SCHEMBL6965167

O=C(NCCc1ccccn1)c1c(CN2CCC(c3ccccc3)(c3ccccc3)CC2)ncn1Cc1ccc(Cl)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FPR3 P25089 1/20 0.45
CNR1 P21554 1/20 0.42
POLB P06746 1/20 0.41
KDM4E B2RXH2 2/20 0.41
HPGD P15428 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
RAB9A P51151 3/20 0.41
NPC1 O15118 3/20 0.39
JAK1 P23458 1/20 0.39
ALDH1A1 P00352 2/20 0.39
TDP1 Q9NUW8 1/20 0.39
ADRA2A P08913 1/20 0.38
ADRA2B P18089 1/20 0.38
ADRA2C P18825 1/20 0.38
ADRA1D P25100 1/20 0.38
ADRA1A P35348 1/20 0.38
ADRA1B P35368 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
OPRD1 P41143 2/20 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
SCHEMBL6978119 0.92 ALDH1A1 (0.43) POLBKDM4EHPGDSMN1; SMN2ALDH1A1
SCHEMBL6979779 0.88 ADRA1A (0.41) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL6971593 0.88 ADRA1A (0.40) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL6972305 0.87 FPR3 (0.44) FPR3CNR1POLBKDM4EHPGD
SCHEMBL6975845 0.86 ADRA1A (0.42) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL6974465 0.86 ALDH1A1 (0.44) SMN1; SMN2ALDH1A1ADRA2AADRA2BADRA2C
SCHEMBL6975294 0.86 ADRA1A (0.47) POLBHPGDADRA2AADRA2BADRA2C
SCHEMBL6974540 0.85 OPRD1 (0.40) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL6971168 0.84 ADRA1A (0.44) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL6965116 0.84 ADRA1A (0.49) KDM4EALDH1A1TDP1ADRA2AADRA2B

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