SCHEMBL6966745

SCHEMBL6966745

O=C(NCc1cccnc1)Oc1c(CN2CCC(c3ccccc3)(c3ccccc3)CC2)ncn1Cc1ccc(Cl)cc1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.41
KMT2A Q03164 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
MEN1 O00255 1/20 0.41
SMN1; SMN2 Q16637 3/20 0.40
NAMPT P43490 4/20 0.40
EPHX1 P07099 1/20 0.40
ALDH1A1 P00352 2/20 0.40
OPRD1 P41143 2/20 0.39
ACKR3 P25106 1/20 0.39
LMNA P02545 1/20 0.38
ADAMTS5 Q9UNA0 1/20 0.38
OPRK1 P41145 1/20 0.38
GAA P10253 1/20 0.38
CHRM2 P08172 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
SCHEMBL6979637 0.87 ALDH1A1 (0.40) KMT2ASMN1; SMN2ALDH1A1OPRD1ACKR3
SCHEMBL6978244 0.86 HTT (0.44) HTTKMT2AL3MBTL1MEN1SMN1; SMN2
SCHEMBL6967337 0.86 OPRD1 (0.39) EPHX1OPRD1OPRK1
SCHEMBL6969075 0.85 OPRD1 (0.38) OPRD1ADAMTS5OPRK1
SCHEMBL6973626 0.85 OPRD1 (0.40) HTTL3MBTL1EPHX1ALDH1A1OPRD1
SCHEMBL6969796 0.84 OPRD1 (0.42) HTTL3MBTL1ALDH1A1OPRD1LMNA
SCHEMBL6980217 0.84 ACHE (0.43) SMN1; SMN2ALDH1A1OPRD1GAA
SCHEMBL6971228 0.84 ADRA1A (0.44) KMT2AOPRD1ACKR3OPRK1
SCHEMBL6972305 0.83 FPR3 (0.44) SMN1; SMN2EPHX1ALDH1A1OPRD1LMNA
SCHEMBL6974993 0.83 CCR3 (0.41) HTTL3MBTL1ALDH1A1OPRD1LMNA

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