SCHEMBL4396337

SCHEMBL4396337

O=C(NC1CCN(CCN2CCCCCC2)CC1)Oc1cc2c(-c3ccccc3)cccc2[nH]1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 4/20 0.43
HTR1A P08908 2/20 0.43
FAAH O00519 3/20 0.43
KDM4E B2RXH2 5/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
ALDH1A1 P00352 4/20 0.41
KMT2A Q03164 3/20 0.41
MEN1 O00255 2/20 0.41
PKM P14618 1/20 0.41
LMNA P02545 1/20 0.41
TP53 P04637 1/20 0.41
POLB P06746 1/20 0.41

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
SCHEMBL4396410 0.92 L3MBTL1 (0.40) FAAHKDM4EALDH1A1
SCHEMBL4401571 0.92 HPGDS (0.39) HTR7HTR1A
SCHEMBL4396992 0.90 KMT2A (0.41) FAAHKDM4EKMT2AMEN1
SCHEMBL4406835 0.90 CHRM3 (0.40) FAAH
SCHEMBL4394199 0.90 CHRM3 (0.41) HTR7HTR1AFAAH
SCHEMBL4396457 0.89 HRH3 (0.42) HTR7HTR1AFAAHKDM4ESMN1; SMN2
SCHEMBL4410349 0.89 HRH3 (0.42) HTR7HTR1AFAAHKDM4ESMN1; SMN2
SCHEMBL4396593 0.89 CHRM3 (0.42)
SCHEMBL4405673 0.88 CHRM3 (0.42)
SCHEMBL4405570 0.87 TLR7 (0.43) KDM4ESMN1; SMN2KMT2A

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