SCHEMBL6981402

SCHEMBL6981402

O=C(NCCc1c[nH]cn1)Oc1c(CN2CCC(c3ccccc3)(c3ccccc3)CC2)ncn1Cc1ccc(Cl)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA1A P35348 2/20 0.38
ADRA2A P08913 1/20 0.38
ADRA2B P18089 1/20 0.38
ADRA2C P18825 1/20 0.38
ADRA1D P25100 1/20 0.38
ADRA1B P35368 1/20 0.38
TAAR1 Q96RJ0 1/20 0.36
EPHX1 P07099 1/20 0.36
EPHX2 P34913 1/20 0.36
OPRD1 P41143 9/20 0.36
OPRK1 P41145 7/20 0.36
PRCP P42785 1/20 0.36
BCHE P06276 1/20 0.35
ACHE P22303 1/20 0.35
OPRL1 P41146 1/20 0.34
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
GAA P10253 1/20 0.34
HTT P42858 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34

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
SCHEMBL6972305 0.89 FPR3 (0.44) TAAR1EPHX1EPHX2OPRD1OPRK1
SCHEMBL6971593 0.88 ADRA1A (0.40) ADRA1AADRA2AADRA2BADRA2CADRA1D
SCHEMBL6967337 0.87 OPRD1 (0.39) ADRA1AADRA2AADRA2BADRA2CADRA1D
SCHEMBL6980217 0.86 ACHE (0.43) ADRA1AADRA2AADRA2BADRA2CADRA1D
SCHEMBL6973626 0.86 OPRD1 (0.40) ADRA1AADRA2AADRA2BADRA2CADRA1D
SCHEMBL6971228 0.85 ADRA1A (0.44) ADRA1AADRA2AADRA2BADRA2CADRA1D
SCHEMBL6969075 0.85 OPRD1 (0.38) ADRA1AADRA2AADRA2BADRA2CADRA1D
SCHEMBL6969796 0.84 OPRD1 (0.42) OPRD1OPRK1OPRL1ALDH1A1LMNA
SCHEMBL6979637 0.83 ALDH1A1 (0.40) OPRD1OPRK1OPRL1ALDH1A1LMNA
SCHEMBL6978058 0.83 ADRA1A (0.46) 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 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