SCHEMBL4403442

SCHEMBL4403442

O=C(NC1CCN(CCN2CCCCCC2)CC1)Oc1cc2c(O)cccc2[nH]1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 1/20 0.40
ADRB1 P08588 1/20 0.40
ADRA2A P08913 1/20 0.39
ADRA2B P18089 1/20 0.39
ADRA2C P18825 1/20 0.39
ADRA1D P25100 1/20 0.39
ADRA1A P35348 1/20 0.39
ADRA1B P35368 1/20 0.39
MAPT P10636 2/20 0.38
KDM4E B2RXH2 1/20 0.38
LMNA P02545 1/20 0.38
HRH4 Q9H3N8 1/20 0.38
HTR4 Q13639 1/20 0.38
TMEM97 Q5BJF2 1/20 0.38
GRIN2D O15399 1/20 0.38
GRIN3B O60391 1/20 0.38
GRIN1 Q05586 1/20 0.38
GRIN2A Q12879 1/20 0.38
GRIN2B Q13224 1/20 0.38
GRIN2C Q14957 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
SCHEMBL4401901 0.87 HTR4 (0.46) KDM4EHRH4HTR4SIGMAR1ALDH1A1
SCHEMBL4396337 0.87 HTR7 (0.43) KDM4ELMNAFAAHALDH1A1SMN1; SMN2
SCHEMBL4404430 0.85 HTR4 (0.37) LMNAHTR4PARP1
SCHEMBL4409097 0.85 CCR8 (0.44) FAAHALDH1A1SMN1; SMN2
SCHEMBL4405558 0.85 HTR4 (0.39) KDM4EHTR4SMN1; SMN2PARP1
SCHEMBL4401571 0.84 HPGDS (0.39) SIGMAR1
SCHEMBL4396410 0.84 L3MBTL1 (0.40) KDM4EFAAHALDH1A1
SCHEMBL4400739 0.84 GUCY1B2 (0.37) MAPTKDM4ELMNAHTR4PARP1
SCHEMBL4405631 0.84 SSTR4 (0.40) LMNAHTR4
SCHEMBL4396602 0.84 SRD5A2 (0.47) TMEM97FAAHSIGMAR1ALDH1A1SMN1; SMN2

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-1720859-B1 CHEMOKINE RECEPTOR ANTAGONISTS NOVARTIS AG (CH) 2009-12-23 EP claimed