SCHEMBL4396602

SCHEMBL4396602

O=C(NC1CCN(CCN2CCCCCC2)CC1)Oc1cc2c(OCc3ccccc3)cccc2[nH]1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SRD5A2 P31213 1/20 0.47
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
SGMS2 Q8NHU3 1/20 0.43
ALDH1A1 P00352 1/20 0.42
TMEM97 Q5BJF2 1/20 0.41
SIGMAR1 Q99720 2/20 0.41
FAAH O00519 1/20 0.40
DPP7 Q9UHL4 1/20 0.40
CCR8 P51685 1/20 0.40
KDM2B Q8NHM5 1/20 0.40
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
MET P08581 1/20 0.39
HTR3A P46098 1/20 0.39

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
SCHEMBL4403746 0.89 CHRM2 (0.36) SRD5A2MEN1KMT2ATMEM97FAAH
SCHEMBL4404430 0.88 HTR4 (0.37)
SCHEMBL4409097 0.88 CCR8 (0.44) MEN1KMT2AALDH1A1FAAHCCR8
SCHEMBL4400739 0.87 GUCY1B2 (0.37)
SCHEMBL4403443 0.87 MEN1 (0.35) MEN1KMT2AALDH1A1
SCHEMBL4401901 0.87 HTR4 (0.46) KMT2AALDH1A1SIGMAR1CCR8SMN1; SMN2
SCHEMBL4551166 0.86 LMNA (0.42) ALDH1A1CCR8
SCHEMBL4405631 0.86 SSTR4 (0.40)
SCHEMBL4402091 0.86 LMNA (0.42) ALDH1A1CCR8
SCHEMBL913937 0.86 SRD5A2 (0.56) SRD5A2MEN1KMT2ASGMS2ALDH1A1

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