SCHEMBL6980217

SCHEMBL6980217

O=C(NCCN1CCCC1)Oc1c(CN2CCC(c3ccccc3)(c3ccccc3)CC2)ncn1Cc1ccc(Cl)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 3/20 0.43
BCHE P06276 1/20 0.43
GAA P10253 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
ADRA1A P35348 2/20 0.41
ADRA2A P08913 1/20 0.41
ADRA2B P18089 1/20 0.41
ADRA2C P18825 1/20 0.41
ADRA1D P25100 1/20 0.41
ADRA1B P35368 1/20 0.41
ALDH1A1 P00352 2/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C19 P33261 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
KDM4E B2RXH2 1/20 0.40
CCR1 P32246 1/20 0.39
CCR3 P51677 1/20 0.39
DRD2 P14416 1/20 0.39
CNR1 P21554 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
SCHEMBL6967337 0.91 OPRD1 (0.39) ACHEBCHEADRA1AADRA2AADRA2B
SCHEMBL6973626 0.89 OPRD1 (0.40) GAAADRA1AADRA2AADRA2BADRA2C
SCHEMBL6971228 0.88 ADRA1A (0.44) ADRA1AADRA2AADRA2BADRA2CADRA1D
SCHEMBL6969075 0.88 OPRD1 (0.38) ADRA1AADRA2AADRA2BADRA2CADRA1D
SCHEMBL6969796 0.87 OPRD1 (0.42) GAAALDH1A1CCR3OPRD1
SCHEMBL6978058 0.87 ADRA1A (0.46) ADRA1AADRA2AADRA2BADRA2CADRA1D
SCHEMBL6980365 0.87 OPRL1 (0.37) ACHEBCHEADRA1AADRA2AADRA2B
SCHEMBL6981402 0.86 ADRA1A (0.38) ACHEBCHEGAAADRA1AADRA2A
SCHEMBL6974465 0.86 ALDH1A1 (0.44) ACHEBCHEGAASMN1; SMN2ADRA1A
SCHEMBL6972305 0.86 FPR3 (0.44) SMN1; SMN2ALDH1A1KDM4ECNR1OPRD1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1202984-B1 DIPHENYL-PIPERIDINE DERIVATE ASTRAZENECA UK LTD (GB) 2003-03-05 EP claimed